SCHEMBL429745

SCHEMBL429745

CC[C@H](CN)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.55
GABBR1 Q9UBS5 2/20 0.55
TAAR1 Q96RJ0 6/20 0.54
HTR2A P28223 2/20 0.54
LMNA P02545 1/20 0.48
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
HRH1 P35367 1/20 0.44
CCR5 P51681 1/20 0.44
CYP2D6 P10635 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL429746 1.00 GABBR2 (0.55) GABBR2GABBR1TAAR1HTR2ALMNA
SCHEMBL2344157 1.00 GABBR2 (0.55) GABBR2GABBR1TAAR1HTR2ALMNA
Hydrochloric Acid SCHEMBL2346631 0.98 GABBR2 (0.53) GABBR2GABBR1TAAR1HTR2ALMNA
SCHEMBL17906514 0.87 CHRNB2 (0.59) GABBR2GABBR1TAAR1HTR2ACHRNB2
Methylamine SCHEMBL27931105 0.85 LMNA (0.52) GABBR2GABBR1TAAR1HTR2ALMNA
SCHEMBL1539105 0.85 TAAR1 (0.65) GABBR2GABBR1TAAR1HTR2ACHRNB2
SCHEMBL169508 0.85 LMNA (0.56) TAAR1HTR2ALMNAHRH1CCR5
Hydrochloric Acid SCHEMBL10676327 0.82 TAAR1 (0.62) GABBR2GABBR1TAAR1HTR2ACHRNB2
Ammonia Solution, Strong SCHEMBL1640901 0.82 LMNA (0.54) TAAR1HTR2ALMNAHRH1CCR5
SCHEMBL19734403 0.82 GABBR2 (0.52) GABBR2GABBR1TAAR1HTR2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018152494-A1 PASSIVATION OF DEFECTS IN PEROVSKITE MATERIALS FOR IMPROVED SOLAR CELL EFFICIENCY AND STABILITY NUTECH VENTURES (US) 2018-08-23 WO claimed
WO-2022261243-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS Epizyme, Inc. (US) 2022-12-15 WO disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
EP-3193604-B1 SUBSTITUTED N-(PYRROLIDIN-3-YL)ISOXAZOLE-3-CARBOXAMIDE COMPOUNDS EPIZYME INC (US) 2021-06-16 EP disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US disclosed
EP-3013812-B1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS (US) 2019-10-16 EP disclosed
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer Epizyme, Inc. (US) 2019-04-23 US disclosed
US-10125226-B2 Scale-up process of bifunctionalized triblock copolymers with secondary and tertiary amines, with application in dewatering and desalting of heavy crude oils INSTITUTO MEXICANO DEL PETROLEO (MX) 2018-11-13 US disclosed
US-9944589-B2 Cycloproplyamine derivatives useful as inhibitors of histone demethylases KDM1A ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2018-04-17 US disclosed
US-20170362217-A1 Substituted Piperidine Compounds Epizyme, Inc. (US) 2017-12-21 US disclosed
WO-2009105824-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2009-09-03 WO disclosed
WO-2009105824-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2009-09-03 WO disclosed
WO-2009105823-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2009-09-03 WO disclosed
WO-2009105823-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2009-09-03 WO disclosed
WO-2009105825-A1 3-SUBSTITUTED-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2009-09-03 WO disclosed
WO-2009105825-A1 3-SUBSTITUTED-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2009-09-03 WO disclosed
US-20090221558-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR Marp Therapeutics Pty Ltd (AU) 2009-09-03 US disclosed
US-20090221558-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR Marp Therapeutics Pty Ltd (AU) 2009-09-03 US disclosed
US-20090221558-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR Marp Therapeutics Pty Ltd (AU) 2009-09-03 US disclosed
WO-2008079759-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 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 (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-20170362217-A1 Substituted Piperidine Compounds SMYD3, SMYD2, SNRPD3 GABBR2 2012/4885GABBR1 2638/4885TAAR1 3266/4885
US-20090221558-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MC5R, MC1R, MC3R GABBR2 678/4885GABBR1 749/4885TAAR1 334/4885
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer SMYD3, SMYD2, SNRPD3 GABBR2 2825/4885GABBR1 3404/4885TAAR1 4297/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 GABBR2 1681/4885GABBR1 2442/4885TAAR1 4421/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 GABBR2 1088/4885GABBR1 1945/4885TAAR1 4320/4885

“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.