SCHEMBL6482585

SCHEMBL6482585

O=S(=O)(c1ccccc1Cl)C1CCn2c3c(c4cccc1c42)CCNCC3

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.51
HTR2C P28335 7/20 0.45
HTR2A P28223 5/20 0.45
MAPK1 P28482 3/20 0.37
MEN1 O00255 2/20 0.37
TP53 P04637 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
KMT2A Q03164 2/20 0.37
NFKB1 P19838 1/20 0.37
MYLK Q15746 1/20 0.37
MAPT P10636 2/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
PMP22 Q01453 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL6483155 0.86 HTR6 (0.51) HTR6HTR2CHTR2AMAPT
SCHEMBL6500296 0.85 HTR6 (0.53) HTR6HTR2CHTR2A
SCHEMBL6483670 0.85 HTR2C (0.48) HTR6HTR2CHTR2AMAPK1MEN1
SCHEMBL6482483 0.84 HTR6 (0.54) HTR6HTR2CHTR2ACYP3A4
SCHEMBL6507100 0.79 HTR6 (0.53) HTR6HTR2CHTR2A
SCHEMBL6483143 0.79 HTR6 (0.42) HTR6HTR2CHTR2AMEN1KMT2A
SCHEMBL6504959 0.79 HTR6 (0.57) HTR6HTR2CHTR2ACYP3A4
SCHEMBL6487187 0.76 HTR2C (0.47) HTR6HTR2CHTR2AMAPK1MEN1
SCHEMBL6486027 0.76 HTR6 (0.53) HTR6HTR2CHTR2AMAPK1MEN1
SCHEMBL6495052 0.75 HTR2C (0.46) HTR6HTR2CHTR2AMAPK1MEN1

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 HTR6 156/4885HTR2C 22/4885HTR2A 34/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HTR6 141/4885HTR2C 24/4885HTR2A 43/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HTR6 141/4885HTR2C 24/4885HTR2A 43/4885

“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.