SCHEMBL6484993

SCHEMBL6484993

CCCC1CC(=O)c2cccc3c4c(n1c23)CCN(C(=O)c1ccccc1)CC4

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.43
CYP2C9 P11712 1/20 0.39
BLM P54132 1/20 0.39
PTGDR Q13258 1/20 0.38
TSHR P16473 2/20 0.37
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
ACHE P22303 1/20 0.37
F10 P00742 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6485011 0.86 PTGDR2 (0.44) PTGDR2CYP2C9ABCB1ABCG2ACHE
SCHEMBL6482120 0.81 PTGDR2 (0.40) PTGDR2CYP2C9ABCB1ABCG2F10
Hydrochloric Acid SCHEMBL6495124 0.77 KDM4E (0.41)
SCHEMBL6492296 0.76 PTGDR2 (0.45) PTGDR2CYP2C9TSHRALDH1A1LMNA
SCHEMBL6492805 0.67 PTGDR2 (0.40) PTGDR2PTGDRACHE
SCHEMBL6493920 0.67 PTGDR2 (0.50) PTGDR2CYP2C9TSHRALDH1A1LMNA
SCHEMBL7037086 0.65 HTR2C (0.34) MAPT
SCHEMBL10274485 0.64 HDAC3 (0.67) BLMACHEALDH1A1
SCHEMBL6498327 0.63 PTGDR2 (0.45) PTGDR2CYP2C9PTGDRALDH1A1LMNA
SCHEMBL6495425 0.63 PTGDR2 (0.51) PTGDR2CYP2C9PTGDRALDH1A1

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 15 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
JP-2002543080-A 2002-12-17 JP claimed
EP-1173440-A1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-01-23 EP claimed
WO-2000064899-A1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2000-11-02 WO claimed
US-20050282796-A1 Tetracyclic azepinoindole compounds PFIZER 2005-12-22 US disclosed
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 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
EP-1173440-A1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-01-23 EP disclosed
WO-2000064899-A1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2000-11-02 WO 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 (4 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 174/4885CYP2C9 26/4885BLM 2260/4885
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 PTGDR2 374/4885CYP2C9 799/4885BLM 2465/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 PTGDR2 314/4885CYP2C9 40/4885BLM 2731/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 PTGDR2 314/4885CYP2C9 40/4885BLM 2731/4885

“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.