SCHEMBL6482671

SCHEMBL6482671

COc1ccc(OCCOc2ccc3c4c2c2c(n4CCC3)CCNCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.37
HRH1 P35367 1/20 0.36
MAPT P10636 3/20 0.35
TSHR P16473 1/20 0.35
LTA4H P09960 1/20 0.35
HTR2C P28335 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
HTR6 P50406 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
ABCB1 P08183 2/20 0.33
SIGMAR1 Q99720 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL6492664 0.92 HRH3 (0.37) HRH3HRH1HTR2CHTR2A
SCHEMBL6482547 0.90 HRH3 (0.40) HRH3HRH1TSHRKMT2AHTR6
SCHEMBL6492809 0.90 HRH3 (0.37) HRH3HRH1LTA4HHTR2CMEN1
SCHEMBL6495241 0.90 HRH3 (0.37) HRH3HRH1MAPTTSHRLTA4H
SCHEMBL6484179 0.90 HTR2C (0.39) HRH3HRH1MAPTLTA4HHTR2C
SCHEMBL6482814 0.88 LTA4H (0.40) HRH3HRH1LTA4HHTR2CHTR2A
SCHEMBL6492865 0.88 HTR2C (0.37) HRH3LTA4HHTR2CHTR2AHTR2B
SCHEMBL6485484 0.87 HRH3 (0.35) HRH3HRH1HTR2CHTR2AHTR2B
SCHEMBL6485119 0.87 LTA4H (0.39) HRH3HRH1LTA4HHTR2CHTR6
SCHEMBL6509113 0.85 HTR2C (0.45) MAPTHTR2CHTR2AHTR2BMEN1

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 512/4885HRH1 237/4885MAPT 2267/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HRH3 669/4885HRH1 186/4885MAPT 2518/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HRH3 669/4885HRH1 186/4885MAPT 2518/4885

“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.