SCHEMBL295762

SCHEMBL295762

C[C@@H](c1ccccc1)N1CC1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
CHRM2 P08172 3/20 0.48
CHRM4 P08173 3/20 0.48
CHRM5 P08912 3/20 0.48
CHRM1 P11229 3/20 0.48
CHRM3 P20309 3/20 0.48
CYP2D6 P10635 2/20 0.46
AGTR2 P50052 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CCR5 P51681 1/20 0.41
MC4R P32245 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5379789 1.00 KMT2A (0.53) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL5385064 1.00 KMT2A (0.53) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL5379214 1.00 KMT2A (0.53) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL5379742 1.00 KMT2A (0.53) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL12087990 0.88 CHRM2 (0.50) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL12151312 0.88 CHRM2 (0.50) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL5011861 0.86 KMT2A (0.47) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL11146489 0.86 KMT2A (0.47) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL26645908 0.85 KMT2A (0.47) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL12091646 0.83 CHRM2 (0.47) KMT2ACHRM2CHRM4CHRM5CHRM1

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 23 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
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-20120225881-A1 METHODS OF USING AS ANALGESICS 1-BENZYL-1-HYDROXY-2, 3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYRDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. 2012-09-06 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
EP-2198864-A1 Pharmaceutical compositions having an analgesic effect and containing 1-benzyl-1-hydroxy-2,3-diamino-propyl amines, 3-benzyl-3-hydroxy-2-amino propionic acid amides or related compounds Allergan, Inc. (US) 2010-06-23 EP 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-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-2008109287-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) 2008-09-12 WO disclosed
WO-2008109286-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) 2008-09-12 WO disclosed
WO-2008011483-A2 METHODS FOR TREATING CHRONIC PAIN USING 1- (HETERO) ARYL-1-HYDROXY 2,3-DIAMINO-PROPYL AMINES AND RELATED COMPOUNDS ALLERGAN, INC. (US) 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 KMT2A 1030/4885CHRM2 341/4885CHRM4 229/4885
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 KMT2A 1681/4885CHRM2 574/4885CHRM4 1173/4885
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 KMT2A 1522/4885CHRM2 410/4885CHRM4 364/4885
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 KMT2A 1290/4885CHRM2 310/4885CHRM4 261/4885
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 KMT2A 277/4885CHRM2 116/4885CHRM4 344/4885
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 KMT2A 614/4885CHRM2 183/4885CHRM4 210/4885
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 KMT2A 536/4885CHRM2 291/4885CHRM4 337/4885
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 KMT2A 536/4885CHRM2 291/4885CHRM4 337/4885
US-20120225881-A1 METHODS OF USING AS ANALGESICS 1-BENZYL-1-HYDROXY-2, 3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYRDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS OPRK1, OPRL1, HRH2 KMT2A 2098/4885CHRM2 645/4885CHRM4 1194/4885

“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.