SCHEMBL6492809

SCHEMBL6492809

Clc1ccc(OCCOc2ccc3c4c2c2c(n4CCC3)CCNCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.37
SLC2A1 P11166 1/20 0.37
HTR2C P28335 1/20 0.36
HRH1 P35367 1/20 0.36
LTA4H P09960 2/20 0.36
PTGS2 P35354 1/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6495241 0.90 HRH3 (0.37) HRH3HTR2CHRH1LTA4HPTGS2
SCHEMBL6484179 0.90 HTR2C (0.39) HRH3HTR2CHRH1LTA4HCYP3A4
SCHEMBL6482671 0.90 HRH3 (0.37) HRH3HTR2CHRH1LTA4HMEN1
SCHEMBL6492664 0.90 HRH3 (0.37) HRH3HTR2CHRH1
SCHEMBL6499210 0.88 KDM4E (0.41) HRH3HTR2CHRH1MEN1KMT2A
SCHEMBL6482814 0.88 LTA4H (0.40) HRH3HTR2CHRH1LTA4H
SCHEMBL6485484 0.87 HRH3 (0.35) HRH3HTR2CHRH1
SCHEMBL6485119 0.87 LTA4H (0.39) HRH3HTR2CHRH1LTA4H
SCHEMBL6491392 0.87 TSHR (0.42) HRH3HTR2CLTA4HMEN1KMT2A
SCHEMBL6493001 0.85 HRH3 (0.40) HRH3HTR2CHRH1

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 512/4885SLC2A1 4341/4885HTR2C 22/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HRH3 669/4885SLC2A1 4029/4885HTR2C 24/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 HRH3 669/4885SLC2A1 4029/4885HTR2C 24/4885

“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.