SCHEMBL6495277

SCHEMBL6495277

FC(F)(F)c1cc2c3c(c1)c1c(n3CC2)CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.42
HTR2A P28223 7/20 0.41
HTR6 P50406 2/20 0.38
ADRB1 P08588 1/20 0.38
MEN1 O00255 2/20 0.36
TP53 P04637 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MCHR1 Q99705 4/20 0.35
HTR2B P41595 1/20 0.32

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
SCHEMBL6506794 0.82 HTR2C (0.45) HTR2CHTR2AHTR6MEN1TP53
Hydrochloric Acid SCHEMBL6496265 0.81 HTR2C (0.44) HTR2CHTR2AHTR6MEN1TP53
SCHEMBL6485279 0.81 HTR2C (0.60) HTR2CHTR2AHTR6ADRB1MEN1
SCHEMBL6484428 0.81 HTR2C (0.39) HTR2CHTR2AHTR6ADRB1MEN1
SCHEMBL6508008 0.80 HTR2C (0.63) HTR2CHTR2AHTR6ADRB1MEN1
SCHEMBL6483363 0.79 HTR2C (0.45) HTR2CHTR2AMEN1TP53CYP3A4
SCHEMBL6497405 0.76 HTR2C (0.42) HTR2CHTR2AHTR6ADRB1MEN1
Hydrochloric Acid SCHEMBL6495296 0.75 HTR2C (0.41) HTR2CHTR2AHTR6ADRB1MEN1
SCHEMBL6501527 0.74 HTR2C (0.46) HTR2CHTR2AHTR6MEN1TP53
Hydrochloric Acid SCHEMBL6482160 0.73 HTR2C (0.45) HTR2CHTR2AHTR6MEN1TP53

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

“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.