SCHEMBL6485279

SCHEMBL6485279

FC(F)(F)c1cc2c3c(c1)c1c(n3CCO2)CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.60
HTR2A P28223 4/20 0.60
HTR6 P50406 2/20 0.36
ADRB1 P08588 1/20 0.35
MCHR1 Q99705 4/20 0.34
LIPG Q9Y5X9 2/20 0.32
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTR1D P28221 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 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
SCHEMBL6847653 0.84 HTR2C (0.65) HTR2CHTR2AHTR6PIK3CAPIK3CB
Hydrochloric Acid SCHEMBL6495767 0.83 HTR2C (0.64) HTR2CHTR2AHTR6PIK3CAPIK3CB
SCHEMBL6847452 0.83 HTR2C (0.64) HTR2CHTR2AHTR6MEN1TP53
Hydrochloric Acid SCHEMBL6493128 0.82 HTR2C (0.62) HTR2CHTR2AHTR6MEN1TP53
SCHEMBL6850266 0.82 HTR2C (0.65) HTR2CHTR2AHTR6ADRB1PIK3CA
SCHEMBL6495277 0.81 HTR2C (0.42) HTR2CHTR2AHTR6ADRB1MCHR1
SCHEMBL6483457 0.81 HTR2C (0.64) HTR2CHTR2AMEN1TP53CYP3A4
SCHEMBL6484428 0.78 HTR2C (0.39) HTR2CHTR2AHTR6ADRB1MCHR1
SCHEMBL6492988 0.78 HTR2C (0.60) HTR2CHTR2AHTR6ADRB1CYP2D6
SCHEMBL11748404 0.75 HTR2C (0.53) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 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
US-6844343-B1 Nitric oxide synthase inhibitors; strokes VASOPHARM BIOTECH GMBH (DE) 2005-01-18 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.