SCHEMBL79765

SCHEMBL79765

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
SCHEMBL774613 1.00 SMN1; SMN2 (0.76) SMN1; SMN2CASRPOLBSIGMAR1CYP3A4
SCHEMBL29560 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 772 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
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
US-20230137023-A1 PROCESS FOR PREPARING S-BEFLUBUTAMID BY RESOLVING 2-BROMOBUTANOIC ACID CHEMINOVA A/S (DK) 2023-05-04 US claimed
US-20230103936-A1 PREPARATION OF S-BEFLUBUTAMID BY RESOLVING 2-(4-FLUORO-3-(TRIFLUOROMETHYL)PHENOXY)BUTANOIC ACID CHEMINOVA A/S (DK) 2023-04-06 US claimed
US-20230048657-A1 PROCESS FOR THE PREPARATION OF (9S)-2-BROMO-9-(2,3,4-TRIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[1,5-A]AZEPINE HOFFMANN-LA ROCHE INC. (US) 2023-02-16 US claimed
EP-4103544-A1 PREPARATION OF S-BEFLUBUTAMID BY RESOLVING 2-(4-FLUORO-3-(TRIFLUOROMETHYL)PHENOXY)BUTANOIC ACID Cheminova A/S (DK) 2022-12-21 EP claimed
EP-4103538-A1 PROCESS FOR PREPARING S-BEFLUBUTAMID BY RESOLVING 2-BROMOBUTANOIC ACID Cheminova A/S (DK) 2022-12-21 EP claimed
EP-4065581-A1 PROCESS FOR THE PREPARATION (9S)-2-BROMO-9-(2,3,4-TRIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[1,5-A]AZEPINE F. Hoffmann-La Roche AG (CH) 2022-10-05 EP claimed
CN-115103829-A Method for preparing S-fluorobutachlor by resolving 2-bromobutyric acid 凯米诺瓦有限公司 2022-09-23 CN claimed
WO-2006011045-A1 PHOTORACEMIZATION OF 2-TRIFLUOROMETHYL-2H-CHROMENE-3-CARBOXYLIC ACID DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2006-02-02 WO 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-20060020023-A1 Racemization method PHARMACIA & UPJOHN COMPANY LLC 2006-01-26 US claimed
US-20060016683-A1 Photoracamization method PHARMACIA & UPJOHN COMPANY LLC 2006-01-26 US claimed
US-20060020022-A1 Enantioselective separation method PHARMACIA & UPJOHN COMPANY LLC 2006-01-26 US claimed
EP-1466888-A1 Calcium receptor-active arylalkyl amines NPS PHARMACEUTICALS, INC. (US) 2004-10-13 EP claimed
EP-1142892-A1 PROCESSES FOR THE PREPARATION OF NOVEL NAPHTHYRIDINE DERIVATIVES Nippon Kayaku Kabushiki Kaisha (JP) 2001-10-10 EP 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
EP-0845454-A1 Method for the production of optically active cyclopropane derivatives Ajinomoto Co., Inc. (JP) 1998-06-03 EP claimed
US-5726308-A High purity formulations of highly substituted lithium amide bases FMC CORPORATION (US) 1998-03-10 US 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 (6 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-20230048657-A1 PROCESS FOR THE PREPARATION OF (9S)-2-BROMO-9-(2,3,4-TRIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[1,5-A]AZEPINE APP, PSEN1, PSEN2 SMN1; SMN2 1736/4885CASR 4192/4885POLB 1422/4885
US-20230103936-A1 PREPARATION OF S-BEFLUBUTAMID BY RESOLVING 2-(4-FLUORO-3-(TRIFLUOROMETHYL)PHENOXY)BUTANOIC ACID RAC2, RAC1, RAC3 SMN1; SMN2 427/4885CASR 3343/4885POLB 3330/4885
US-20230137023-A1 PROCESS FOR PREPARING S-BEFLUBUTAMID BY RESOLVING 2-BROMOBUTANOIC ACID RAC2, RAC1, RAC3 SMN1; SMN2 250/4885CASR 3167/4885POLB 1661/4885
US-20060020023-A1 Racemization method STS, SQLE, HAO2 SMN1; SMN2 1179/4885CASR 2583/4885POLB 1298/4885
US-20060016683-A1 Photoracamization method CYP3A43, CRY2, CRY1 SMN1; SMN2 4532/4885CASR 1093/4885POLB 2353/4885
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.