SCHEMBL299718

SCHEMBL299718

O=C(NC(CN1CCCC1)C(O)c1ccccc1)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.60
UGCG Q16739 7/20 0.56
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
CTSL P07711 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7102820 1.00 OPRK1 (0.60) OPRK1UGCGITGB3ITGA2BALDH1A1
SCHEMBL7099886 1.00 OPRK1 (0.60) OPRK1UGCGITGB3ITGA2BALDH1A1
SCHEMBL7102877 0.99 OPRK1 (0.59) OPRK1UGCGITGB3ITGA2BALDH1A1
SCHEMBL17122952 0.94 UGCG (0.55) OPRK1UGCGITGB3ITGA2BCYP3A4
SCHEMBL7923099 0.92 TP53 (0.53) OPRK1UGCGITGB3ITGA2BTP53
SCHEMBL12407050 0.92 TP53 (0.53) OPRK1UGCGITGB3ITGA2BTP53
SCHEMBL7925792 0.91 OPRK1 (0.54) OPRK1UGCGITGB3ITGA2BCYP3A4
SCHEMBL17635995 0.90 UGCG (0.61) OPRK1UGCGITGB3ITGA2BALDH1A1
SCHEMBL7925240 0.90 UGCG (0.61) OPRK1UGCGITGB3ITGA2BALDH1A1
SCHEMBL295478 0.90 KMT2A (0.59) OPRK1UGCGALDH1A1CYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828349-B2 1-aryl-1-hydroxy-2,3-diamino-propyl amines, 1-heteroaryl-1-hydroxy-2,3-diamino-propyl amines and related compounds having analgesic and/or immuno stimulant activity EXONHIT THERAPEUTICS SA (FR) 2017-11-28 US disclosed
US-9399628-B2 1-aryl-1-hydroxy-2,3-diamino-propyl amines, 1-heteroaryl-1-hydroxy-2,3-diamino-propyl amines and related compounds having analgesic and/or immuno stimulant activity ALLERGAN, INC. (US) 2016-07-26 US disclosed
US-9314466-B2 Methods for treating cognitive disorders using 1-benzyl-1-hydroxy-2,3-diamino-propyl amines, 3-benzyl-3-hydroxy-2-amino-propionic acid amides and related compounds ALLERGAN, INC. (US) 2016-04-19 US disclosed
US-20160083371-A1 1-ARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 1-HETEROARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNO STIMULANT ACTIVITY EXONHIT THERAPEUTICS SA (FR) 2016-03-24 US disclosed
US-9278943-B2 Methods of using as analgesics 1-benzyl-1-hydroxy-2, 3-diamino-propyl amines, 3-benzyl-3-hydroxy-2-amino-propionic acid amides and related compounds EXONHIT THERAPEUTICS SA (FR) 2016-03-08 US disclosed
US-20160051555-A9 METHODS FOR TREATING COGNITIVE DISORDERS USING 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2016-02-25 US disclosed
US-20150231140-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2015-08-20 US disclosed
US-20130310383-A1 1-ARYL -1-HYDROXY -2,3-DIAMINO-PROPYL AMIN ES, 1-HETEROARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNO STIMULANT ACTIVITY ALLERGAN, INC. (US) 2013-11-21 US disclosed
EP-1841742-B1 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPYL AMINES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNO STIMULANT ACTIVITY ALLERGAN INC (US) 2013-10-30 EP disclosed
US-8513288-B2 1-aryl-1-hydroxy-2,3-diamino-propyl amines, 1-heteroaryl-1-hydroxy-2,3-diamino-propyl amines and related compounds having analgesic and/or immuno stimulant activity ALLERGAN, INC. (US) 2013-08-20 US disclosed
US-20110288094-A1 1-ARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 1-HETEROARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNO STIMULANT ACTIVITY ALLERGAN, INC. (US) 2011-11-24 US disclosed
US-8013000-B2 3-heteroaryl-3-hydroxy-2-amino-propyl amines and related compounds having analgesic and/or immuno stimlant activity ALLERGAN, INC. (US) 2011-09-06 US disclosed
US-20100190792-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS ALLERGAN, INC 2010-07-29 US disclosed
US-20100105687-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 1-ARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 1-HETEROARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2010-04-29 US disclosed
EP-1841423-B1 USE OF 1- BENZYL-1- HYDROXY-2, 3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO PROPIONIC ACID AMIDES AND RELATED COMPOUNDS AS ANALGESICS ALLERGAN INC (US) 2010-03-10 EP disclosed
US-20100028878-A1 Modulators of UDP-glucose ceramide glucosyltransferase for treating acne or hyperkeratinization GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-02-04 US disclosed
EP-2046978-A2 MODULATORS OF UDP-GLUCOSE CERAMIDE GLUCOSYLTRANSFERASE IN THE TREATMENT OF ACNE OR OF HYPERKERATINIZATION Galderma Research & Development (FR) 2009-04-15 EP disclosed
US-20090088433-A1 METHODS OF USING AS ANALGESICS 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. 2009-04-02 US disclosed
US-20080312236-A1 3-Heteroaryl-3-Hydroxy-2-Amino-Propyl Amines And Related Compounds Having Analgesic And/Or Immuno Stimlant Activity EXONHIT THERAPEUTICS SA (FR) 2008-12-18 US disclosed
WO-2008009857-A2 MODULATORS OF UDP-GLUCOSE CERAMIDE GLUCOSYLTRANSFERASE IN THE TREATMENT OF ACNE OR OF HYPERKERATINIZATION GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080312236-A1 3-Heteroaryl-3-Hydroxy-2-Amino-Propyl Amines And Related Compounds Having Analgesic And/Or Immuno Stimlant Activity OPRL1, OPRM1, MRGPRX2 OPRK1 8/4885UGCG 2783/4885ITGB3 1488/4885
US-20090088433-A1 METHODS OF USING AS ANALGESICS 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS OPRL1, OPRK1, AADAT OPRK1 2/4885UGCG 4208/4885ITGB3 1628/4885
US-20130310383-A1 1-ARYL -1-HYDROXY -2,3-DIAMINO-PROPYL AMIN ES, 1-HETEROARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNO STIMULANT ACTIVITY OPRL1, OPRM1, OPRK1 OPRK1 3/4885UGCG 3913/4885ITGB3 2863/4885
US-20160083371-A1 1-ARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 1-HETEROARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNO STIMULANT ACTIVITY OPRM1, OPRL1, MYD88 OPRK1 5/4885UGCG 4316/4885ITGB3 2967/4885
US-20100105687-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 1-ARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 1-HETEROARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES AND RELATED COMPOUNDS SLC1A2, PNMT, HTR2C OPRK1 341/4885UGCG 2434/4885ITGB3 4569/4885
US-20100190792-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS SLC1A2, SLC1A1, GRIN2A OPRK1 524/4885UGCG 3688/4885ITGB3 3922/4885
US-20150231140-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS SLC1A2, GRIN2A, GRIN2C OPRK1 466/4885UGCG 2681/4885ITGB3 4316/4885
US-20160051555-A9 METHODS FOR TREATING COGNITIVE DISORDERS USING 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS SLC1A2, GRIN2A, GRIN2C OPRK1 466/4885UGCG 2681/4885ITGB3 4316/4885
US-20110288094-A1 1-ARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 1-HETEROARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNO STIMULANT ACTIVITY OPRM1, OPRL1, MYD88 OPRK1 5/4885UGCG 4316/4885ITGB3 2967/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.