SCHEMBL6482016

SCHEMBL6482016

COc1cccc(OC2Cc3cccc4c5c(n(c34)C2)CCNCC5)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.48
HTR2C P28335 10/20 0.44
HTR2A P28223 7/20 0.44
HTR2B P41595 1/20 0.44
HTR7 P34969 2/20 0.41
CCNE2 O96020 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL6492963 0.92 HTR6 (0.47) HTR6HTR2CHTR2AHTR2BHTR7
SCHEMBL6499117 0.89 HTR2C (0.44) HTR6HTR2CHTR2AHTR2BKDM4E
SCHEMBL6484377 0.88 HTR2C (0.48) HTR6HTR2CHTR2ASLC6A2SLC6A4
SCHEMBL6485674 0.85 HTR2C (0.45) HTR6HTR2CHTR2AHTR2BHTR7
SCHEMBL6493707 0.83 HTR6 (0.43) HTR6HTR2CHTR2AHTR7KDM4E
SCHEMBL6482718 0.82 SLC6A4 (0.44) HTR6HTR2CHTR2AHTR2BCDK4
SCHEMBL6485966 0.81 HTR6 (0.46) HTR6HTR2CHTR2AHTR7CCNE2
SCHEMBL6494206 0.80 HTR6 (0.59) HTR6HTR2CCYP3A4
SCHEMBL6499391 0.79 HTR2C (0.45) HTR6HTR2CHTR2ASLC6A2SLC6A4
SCHEMBL6499223 0.78 HTR2C (0.53) HTR6HTR2CHTR2AHTR2BHTR7

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.