SCHEMBL6495632

SCHEMBL6495632

COc1ccc2c3c1c1c(n3CC2)CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.47
HTR2A P28223 4/20 0.47
HTR2B P41595 4/20 0.47
HTR6 P50406 4/20 0.36
HTR7 P34969 3/20 0.35
PNMT P11086 1/20 0.35
HTR3E A5X5Y0 2/20 0.33
HTR3B O95264 2/20 0.33
HTR3A P46098 2/20 0.33
HTR3D Q70Z44 2/20 0.33
HTR3C Q8WXA8 2/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
ADRB1 P08588 1/20 0.33
CYP2C19 P33261 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL6509113 0.92 HTR2C (0.45) HTR2CHTR2AHTR2BHTR6HTR7
Hydrochloric Acid SCHEMBL6485114 0.91 HTR2C (0.44) HTR2CHTR2AHTR2BHTR6HTR7
SCHEMBL6497488 0.81 HTR2C (0.56) HTR2CHTR2AHTR2BHTR6HTR7
SCHEMBL6492865 0.80 HTR2C (0.37) HTR2CHTR2AHTR2BHTR6HTR7
SCHEMBL6483629 0.80 ALDH1A1 (0.38) HTR2CHTR2AHTR2BHTR6HTR7
SCHEMBL6507041 0.79 HTR2C (0.45) HTR2CHTR2AHTR2BHTR6PNMT
SCHEMBL6499399 0.79 HTR2C (0.46) HTR2CHTR2AHTR2BPNMTCYP2C19
SCHEMBL6488159 0.79 HTR2C (0.61) HTR2CHTR2AHTR2BHTR7HTR3A
SCHEMBL6482671 0.78 HRH3 (0.37) HTR2CHTR2AHTR2BHTR6SIGMAR1
SCHEMBL6495114 0.77 HTR2C (0.48) HTR2CHTR2AHTR2BHTR6HTR7

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
US-20050282796-A1 Tetracyclic azepinoindole compounds PFIZER 2005-12-22 US claimed
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-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 HTR2C 22/4885HTR2A 34/4885HTR2B 86/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HTR2C 24/4885HTR2A 43/4885HTR2B 184/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HTR2C 24/4885HTR2A 43/4885HTR2B 184/4885

“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.