SCHEMBL507041

SCHEMBL507041

NCc1ccc2ccoc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 8/20 0.53
CHRM2 P08172 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
CYP2A6 P11509 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL14756115 0.84 CHRM2 (0.53) HTR1BCHRM2CHRM1CHRM3CYP2A6
SCHEMBL31061981 0.84 CHRM2 (0.53) HTR1BCHRM2CHRM1CHRM3CYP2A6
SCHEMBL31164857 0.83 CA2 (0.55) HTR1BCA12CA1CA2CA3
SCHEMBL111709 0.83 CA2 (0.55) HTR1BCA12CA1CA2CA3
Hydrochloric Acid SCHEMBL20563057 0.82 CHRM2 (0.51) HTR1BCHRM2CHRM1CHRM3KDM4E
SCHEMBL957248 0.79 HTR1B (0.53) HTR1BCHRM2CHRM1CHRM3CA12
SCHEMBL4328740 0.79 HTR1B (0.53) HTR1BCHRM2CHRM1CHRM3CA12
SCHEMBL17613378 0.79 HTR1B (0.53) HTR1BCHRM2CHRM1CHRM3CA12
SCHEMBL28033156 0.79 HTR1B (0.53) HTR1BCHRM2CHRM1CHRM3CA12
SCHEMBL25742666 0.79 HTR1B (0.53) HTR1BCHRM2CHRM1CHRM3CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1754705-A2 Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders Genentech, Inc. (US) 2007-02-21 EP claimed
US-20250115600-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. 2025-04-10 US disclosed
EP-4486390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF Terremoto Biosciences, Inc (US) 2025-01-08 EP disclosed
US-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-11-21 US disclosed
US-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-11-21 US disclosed
WO-2023168291-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2023-09-07 WO disclosed
CN-115707698-A 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-formamide compound, and preparation method and application thereof 辽宁何氏医学院 2023-02-21 CN disclosed
US-20210198254-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-07-01 US disclosed
US-10919888-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-02-16 US disclosed
WO-2017049321-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION MILLER MARVIN J (US) 2017-03-23 WO disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
EP-1754705-A2 Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders Genentech, Inc. (US) 2007-02-21 EP disclosed
EP-1063982-B1 ANTAGONISTS FOR TREATMENT OF CD11/CD18 ADHESION RECEPTOR MEDIATED DISORDERS GENENTECH INC (US) 2007-02-14 EP disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
US-20050203135-A1 Antagonists for treatment of CD/11CD18 adhesion receptor mediated disorders GENENTECH, INC. 2005-09-15 US disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed
EP-1063982-A2 ANTAGONISTS FOR TREATMENT OF CD11/CD18 ADHESION RECEPTOR MEDIATED DISORDERS Genentech, Inc. (US) 2001-01-03 EP disclosed
WO-1999049856-A2 ANTAGONISTS FOR TREATMENT OF CD11/CD18 ADHESION RECEPTOR MEDIATED DISORDERS GENENTECH, INC. (US) 1999-10-07 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 (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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 HTR1B 9/4885CHRM2 572/4885CHRM1 458/4885
US-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection BET1, BRD4, BRD3 HTR1B 2581/4885CHRM2 3296/4885CHRM1 2893/4885
US-20250115600-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF AKT1, AKT1S1, AKT2 HTR1B 3952/4885CHRM2 4166/4885CHRM1 3716/4885
US-20050203135-A1 Antagonists for treatment of CD/11CD18 adhesion receptor mediated disorders VCAM1, CD58, ITGB8 HTR1B 428/4885CHRM2 726/4885CHRM1 272/4885
US-10919888-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection BET1, BRD4, BRD3 HTR1B 2581/4885CHRM2 3296/4885CHRM1 2893/4885
US-20210198254-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION BET1, BRD4, BRD3 HTR1B 2581/4885CHRM2 3296/4885CHRM1 2893/4885

“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.