SCHEMBL6483629

SCHEMBL6483629

COc1ccc2c3c1c1c(n3CCS2)CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTR2C P28335 5/20 0.37
HTR2A P28223 3/20 0.37
HTR2B P41595 2/20 0.37
RYR2 Q92736 4/20 0.33
HTR6 P50406 2/20 0.33
HTR7 P34969 2/20 0.32
HTR3E A5X5Y0 2/20 0.31
HTR3B O95264 2/20 0.31
HTR3A P46098 2/20 0.31
HTR3D Q70Z44 2/20 0.31
HTR3C Q8WXA8 2/20 0.31
KCNH2 Q12809 1/20 0.31
ADRB1 P08588 1/20 0.31
DRD2 P14416 1/20 0.31
CYP2C19 P33261 1/20 0.31
DRD3 P35462 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL6483124 0.84 HTR2C (0.38) MAPTHTR2CHTR2ACYP2C19CYP1A2
SCHEMBL6486098 0.81 HTR1A (0.40) HTR2CHTR2AHTR2BHTR6CHRM2
SCHEMBL6497657 0.81 HTR2C (0.38) HTR2CHTR2AHTR2BHTR6
SCHEMBL6485539 0.81 HTR2C (0.47) HTR2CHTR2AHTR2B
SCHEMBL6495632 0.80 HTR2C (0.47) MAPTHTR2CHTR2AHTR2BHTR6
SCHEMBL6486605 0.79 HTR2C (0.36) HTR2CHTR2AHTR2B
SCHEMBL6495834 0.78 HTR2C (0.43) ALDH1A1MAPTHTR2CHTR2AHTR2B
SCHEMBL6509113 0.78 HTR2C (0.45) MAPTHTR2CHTR2AHTR2BHTR6
SCHEMBL6497488 0.77 HTR2C (0.56) HTR2CHTR2AHTR2BHTR6HTR7
Hydrochloric Acid SCHEMBL6485114 0.77 HTR2C (0.44) MAPTHTR2CHTR2AHTR2BHTR6

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173440-B1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS UPJOHN CO (US) 2004-09-15 EP claimed
US-20020198190-A1 Tetracyclic azepinoindole compounds PHARMACIA & UPJOHN COMPANY 2002-12-26 US claimed
US-6407092-B1 5-HYDROXYTRYPTAMINE MODULATORS AND ANTISEROTONINE AGENTS; TREATING EATING, SEXUAL, SLEEP, NERVOUS SYSTEM, PSYCHOLOGICAL, AND GASTROINTESTINAL DISORDERS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS PHARMACIA & UPJOHN COMPANY 2002-06-18 US claimed
US-20050282796-A1 Tetracyclic azepinoindole compounds PFIZER 2005-12-22 US disclosed
US-6875762-B2 Tetracyclic azepinoindole compounds PFIZER (US) 2005-04-05 US disclosed
EP-1173440-B1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS UPJOHN CO (US) 2004-09-15 EP disclosed
US-20040138202-A1 Tetracyclic azepinoindole compounds PHARMACIA AND UPJOHN COMPANY 2004-07-15 US disclosed
US-20020198190-A1 Tetracyclic azepinoindole compounds PHARMACIA & UPJOHN COMPANY 2002-12-26 US disclosed
US-6407092-B1 5-HYDROXYTRYPTAMINE MODULATORS AND ANTISEROTONINE AGENTS; TREATING EATING, SEXUAL, SLEEP, NERVOUS SYSTEM, PSYCHOLOGICAL, AND GASTROINTESTINAL DISORDERS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS PHARMACIA & UPJOHN COMPANY 2002-06-18 US 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 (3 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-20050282796-A1 Tetracyclic azepinoindole compounds TBXA2R, NPY5R, AZI2 ALDH1A1 542/4885MAPT 2267/4885HTR2C 22/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 ALDH1A1 327/4885MAPT 2518/4885HTR2C 24/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 ALDH1A1 327/4885MAPT 2518/4885HTR2C 24/4885

“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.