SCHEMBL6498327

SCHEMBL6498327

O=C1CCn2c3c(c4cc(Cl)cc1c42)CCN(C(=O)c1ccccc1)CC3

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.45
HPGD P15428 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
PTGDR Q13258 1/20 0.38
CYP2C9 P11712 1/20 0.38
MGLL Q99685 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
USP2 O75604 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL6495425 0.87 PTGDR2 (0.51) PTGDR2HPGDALDH1A1PTGDRCYP2C9
SCHEMBL6492296 0.85 PTGDR2 (0.45) PTGDR2HPGDALDH1A1LMNACYP2C9
SCHEMBL6493920 0.75 PTGDR2 (0.50) PTGDR2HPGDALDH1A1LMNACYP2C9
SCHEMBL6507807 0.74 HTR2C (0.48) MEN1KMT2ACHRM2CHRM3
SCHEMBL6492805 0.70 PTGDR2 (0.40) PTGDR2PTGDR
SCHEMBL7031087 0.67 HTR2C (0.35) HPGDALDH1A1MEN1KMT2AUSP2
Oxalic Acid SCHEMBL6492860 0.66 HTR2C (0.52) CYP2C9MEN1KMT2A
SCHEMBL6485011 0.66 PTGDR2 (0.44) PTGDR2HPGDALDH1A1LMNACYP2C9
SCHEMBL6482946 0.66 PTGDR2 (0.41) PTGDR2HPGDCYP2C9MEN1KMT2A
SCHEMBL6483821 0.65 BAZ2B (0.62) PTGDR2LMNACYP2C9MEN1KMT2A

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 PTGDR2 174/4885HPGD 2462/4885ALDH1A1 542/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 PTGDR2 314/4885HPGD 2673/4885ALDH1A1 327/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 PTGDR2 314/4885HPGD 2673/4885ALDH1A1 327/4885

“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.