SCHEMBL6484338

SCHEMBL6484338

O=S(=O)(c1cccc(Cl)c1)C1Cc2cccc3c4c(n(c23)C1)CCNCC4

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.57
CYP3A4 P08684 2/20 0.42
HTR2C P28335 2/20 0.39
HTR2A P28223 1/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL6483965 0.90 HTR6 (0.53) HTR6CYP3A4HTR2CHTR2A
SCHEMBL6484079 0.90 HTR6 (0.50) HTR6CYP3A4HTR2CHTR2A
SCHEMBL6494206 0.86 HTR6 (0.59) HTR6CYP3A4HTR2C
SCHEMBL6486027 0.84 HTR6 (0.53) HTR6CYP3A4HTR2CHTR2A
SCHEMBL6484432 0.82 HTR6 (0.56) HTR6HTR2CHTR2A
SCHEMBL6484580 0.78 HTR6 (0.56) HTR6CYP3A4HTR2CHTR2A
SCHEMBL6482483 0.77 HTR6 (0.54) HTR6CYP3A4HTR2CHTR2A
SCHEMBL6484377 0.76 HTR2C (0.48) HTR6CYP3A4HTR2CHTR2AKCNH2
SCHEMBL6497034 0.76 HTR6 (0.44) HTR6CYP3A4HTR2CHTR2A
SCHEMBL6487941 0.75 HTR6 (0.44) HTR6HTR2CHTR2A

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 12 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
JP-2002543080-A 2002-12-17 JP claimed
EP-1173440-A1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-01-23 EP claimed
WO-2000064899-A1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2000-11-02 WO 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 HTR6 156/4885CYP3A4 37/4885HTR2C 22/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HTR6 141/4885CYP3A4 55/4885HTR2C 24/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HTR6 141/4885CYP3A4 55/4885HTR2C 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.