SCHEMBL774613

SCHEMBL774613

C[C@H](NCc1ccccc1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.76
CASR P41180 4/20 0.65
POLB P06746 1/20 0.59
SIGMAR1 Q99720 2/20 0.59
CYP3A4 P08684 2/20 0.57
CHRM2 P08172 1/20 0.57
HTR1A P08908 1/20 0.57
ADRA2A P08913 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
CHRM1 P11229 1/20 0.57
SMPD1 P17405 1/20 0.57
DRD1 P21728 1/20 0.57
TBXA2R P21731 1/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
ADRA1A P35348 1/20 0.57
OPRM1 P35372 1/20 0.57
DRD3 P35462 1/20 0.57
HTR2B P41595 1/20 0.57
SLC6A3 Q01959 1/20 0.57

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
SCHEMBL29560 1.00 SMN1; SMN2 (0.76) SMN1; SMN2CASRPOLBSIGMAR1CYP3A4
SCHEMBL79765 1.00 SMN1; SMN2 (0.76) SMN1; SMN2CASRPOLBSIGMAR1CYP3A4
Hydrochloric Acid SCHEMBL27830673 0.98 SMN1; SMN2 (0.79) SMN1; SMN2CASRPOLBSIGMAR1CYP3A4
SCHEMBL27939948 0.98 SMN1; SMN2 (0.73) SMN1; SMN2CASRPOLBSIGMAR1CYP3A4
Hydrochloric Acid SCHEMBL5493749 0.98 SMN1; SMN2 (0.79) SMN1; SMN2CASRPOLBSIGMAR1CYP3A4
Hydrochloric Acid SCHEMBL9635019 0.98 SMN1; SMN2 (0.79) SMN1; SMN2CASRPOLBSIGMAR1CYP3A4
SCHEMBL11881252 0.96 SMN1; SMN2 (0.70) SMN1; SMN2CASRPOLBSIGMAR1CYP3A4
SCHEMBL14469578 0.96 SMN1; SMN2 (0.82) SMN1; SMN2CASRPOLBSIGMAR1CYP3A4
Diethylamine SCHEMBL27544555 0.91 SMN1; SMN2 (0.65) SMN1; SMN2CASRPOLBSIGMAR1CYP3A4
SCHEMBL11877401 0.90 CASR (0.73) SMN1; SMN2CASRPOLBSIGMAR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4711367-A1 PYRAZOLOPYRAZINE COMPOUND AND METHOD FOR PREPARING CRYSTAL FORM THEREOF CMS Research & Development Pte. Ltd. (SG) 2026-03-18 EP claimed
CN-120058681-A Preparation method of high-optical-purity ritalst 江苏东科康德药业有限公司 2025-05-30 CN claimed
US-20250078176-A1 ENVIRONMENTAL ATTRIBUTES FOR NITROGEN CONTAINING CHEMICALS BASF SE (DE) 2025-03-06 US claimed
WO-2024235167-A1 PYRAZOLOPYRAZINE COMPOUND AND METHOD FOR PREPARING CRYSTAL FORM THEREOF 海南康哲美丽科技有限公司 2024-11-21 WO claimed
CN-111193069-B Electrolyte for electrochemical device, method for preparing the same, and electrochemical device 三星电子株式会社 2024-11-01 CN claimed
CN-118435582-A Environmental attributes of nitrogen-containing chemicals 巴斯夫欧洲公司 2024-08-02 CN claimed
CN-114195661-B Preparation method of milobalin benzenesulfonate 苏州楚凯药业有限公司 2023-12-22 CN claimed
CN-113330004-B Differential solubility driven asymmetric conversion process for substituted 2H-chromene-3-carboxylic acids 株式会社AskAt 2023-11-17 CN claimed
WO-2023117926-A1 ENVIRONMENTAL ATTRIBUTES FOR NITROGEN CONTAINING CHEMICALS BASF SE (DE) 2023-06-29 WO claimed
EP-3906232-B1 PROCESS FOR THE DIFFERENTIAL SOLUBILITY-DRIVEN ASYMMETRIC TRANSFORMATION OF SUBSTITUTED 2H-CHROMENE-3-CARBOXYLIC ACIDS ASKAT INC (JP) 2023-05-10 EP claimed
WO-2008151170-A2 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-12-11 WO claimed
EP-1773802-A1 ENANTIOSELECTIVE METHOD FOR SEPARING SUBSTITUTED 2-TRIFLUOROMETHYL-2H-CHROMENE-3-CARBOXYLIC ACID DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2007-04-18 EP claimed
WO-2006011047-A1 ENANTIOSELECTIVE METHOD FOR SEPARING SUBSTITUTED 2-TRIFLUOROMETHYL-2H-CHROMENE-3-CARBOXYLIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-02 WO claimed
US-20060020022-A1 Enantioselective separation method PHARMACIA & UPJOHN COMPANY LLC 2006-01-26 US claimed
EP-1477486-A2 Imides as inhibitors of TNF alpha CELGENE CORPORATION (US) 2004-11-17 EP claimed
US-6380400-B1 DIMETHYLTHIOCARBAMIC ACID ESTER; VIRICIDES FEDIJ VICTOR (US) 2002-04-30 US claimed
US-6060617-A REACTING AN ALKALI METAL HYDRIDE AND ALKALI METAL AMIDES WITH A SUBSTITUTED AMINE IN AN ETHER SOLVENT IN ABSENCE OF AN ELECTRON CARRIER TO PRODUCE AN ALKALI METAL AMIDE FREE OF ORGANIC CONTAMINANTS FMC CORPORATION (US) 2000-05-09 US claimed
WO-2000015625-A2 METHODS OF MAKING DIHYDROPYRONE HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO claimed
EP-0845454-A1 Method for the production of optically active cyclopropane derivatives Ajinomoto Co., Inc. (JP) 1998-06-03 EP claimed
WO-1994026708-A1 OPTICALLY ACTIVE 3-(1-(ALKYLAMINO))ALKYL PYRROLIDINES THE UPJOHN COMPANY (US) 1994-11-24 WO claimed

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

For each of this compound's patents that has machine-readable text (1 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-20060020022-A1 Enantioselective separation method SLC7A1, SLC10A1, DHCR7 SMN1; SMN2 3170/4885CASR 1648/4885POLB 2705/4885

“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.