SCHEMBL1373500

SCHEMBL1373500

CCCCCCCCCCCCCCCC(=O)NC(CN1CCCC1)C(O)c1ccc(OC)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 16/20 0.79
▸ HTR1A P08908 1/20 0.67
▸ PTGS1 P23219 1/20 0.67
▸ OPRM1 P35372 1/20 0.67
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ TP53 P04637 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ CYP2D6 P10635 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ NFKB1 P19838 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ HIF1A Q16665 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ MTOR P42345 1/20 0.64
▸ GMNN O75496 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ BLM P54132 1/20 0.63
▸ PMP22 Q01453 1/20 0.63

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
SCHEMBL1085010 1.00 UGCG (0.79) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL3748105 1.00 UGCG (0.79) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL12088025 1.00 UGCG (0.79) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL7926312 1.00 UGCG (0.79) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL13493071 0.92 UGCG (0.66) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL12406950 0.92 UGCG (0.66) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL7999211 0.92 UGCG (0.66) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL7922965 0.91 UGCG (0.66) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL8082637 0.91 UGCG (0.64) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL19043210 0.90 UGCG (0.64) UGCGHTR1APTGS1OPRM1MEN1

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 12 patents. 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-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-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-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-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
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
EP-2489658-A1 3-Heteroaryl-3-hydroxy-2-amino-propyl amines and related compounds having analgesic and/or immuno stimulant activity Allergan, Inc. (US) 2012-08-22 — — EP 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-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
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

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

For each of this compound's patents that has machine-readable text (5 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 UGCG 2783/4885HTR1A 188/4885PTGS1 85/4885
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 UGCG 3913/4885HTR1A 9/4885PTGS1 93/4885
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 UGCG 4316/4885HTR1A 9/4885PTGS1 141/4885
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 UGCG 2434/4885HTR1A 9/4885PTGS1 1381/4885
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 UGCG 4316/4885HTR1A 9/4885PTGS1 141/4885

“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.

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