SCHEMBL6485484

SCHEMBL6485484

FC(F)(F)Oc1ccc(OCCOc2ccc3c4c2c2c(n4CCC3)CCNCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.35
HTR2C P28335 3/20 0.35
HRH1 P35367 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34
EPHX2 P34913 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
ABL1 P00519 1/20 0.31
KCNH2 Q12809 1/20 0.31
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
TRPV1 Q8NER1 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 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
SCHEMBL6493956 0.91 HRH3 (0.35) HRH3HTR2CHRH1HTR2ALIPG
SCHEMBL6485119 0.90 LTA4H (0.39) HRH3HTR2CHRH1EPHX2LIPG
SCHEMBL6484179 0.89 HTR2C (0.39) HRH3HTR2CHRH1
SCHEMBL6486474 0.89 HTR2C (0.36) HRH3HTR2CHTR2AHTR2BKCNH2
SCHEMBL6492664 0.87 HRH3 (0.37) HRH3HTR2CHRH1HTR2A
SCHEMBL6495241 0.87 HRH3 (0.37) HRH3HTR2CHRH1HTR2A
SCHEMBL6482671 0.87 HRH3 (0.37) HRH3HTR2CHRH1HTR2AHTR2B
SCHEMBL6492809 0.87 HRH3 (0.37) HRH3HTR2CHRH1
SCHEMBL6482814 0.85 LTA4H (0.40) HRH3HTR2CHRH1HTR2AKCNH2
SCHEMBL6483876 0.83 L3MBTL1 (0.42) HRH3HTR2CHRH1LIPG

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 HRH3 512/4885HTR2C 22/4885HRH1 237/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HRH3 669/4885HTR2C 24/4885HRH1 186/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HRH3 669/4885HTR2C 24/4885HRH1 186/4885

“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.