SCHEMBL1695149

SCHEMBL1695149

CC(Cc1nc(CC2CCCCC2)c[nH]1)c1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 14/20 0.52
LTB4R2 Q9NPC1 2/20 0.38
MME P08473 2/20 0.37
AGTR1 P30556 2/20 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
SCHEMBL14052237 0.84 BRS3 (0.34) BRS3
SCHEMBL502567 0.82 BRS3 (0.73) BRS3
SCHEMBL6982673 0.82 BRS3 (0.67) BRS3
SCHEMBL502974 0.71 BRS3 (0.56) BRS3
SCHEMBL6983651 0.69 BRS3 (0.69) BRS3
SCHEMBL6005772 0.68 AGTR1 (0.63) BRS3MMEAGTR1
SCHEMBL6004555 0.67 AGTR1 (0.50) BRS3MMEAGTR1
SCHEMBL6989344 0.67 BRS3 (0.52) BRS3
SCHEMBL9553128 0.66 BRS3 (0.51) BRS3LTB4R2MMEAGTR1
SCHEMBL9553290 0.66 BRS3 (0.50) BRS3LTB4R2MMEAGTR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318767-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP (US) 2012-11-27 US disclosed
US-20120088788-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS SCHERING CORPORATION 2012-04-12 US disclosed
US-20120088788-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS SCHERING CORPORATION 2012-04-12 US disclosed
US-8106070-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-01-31 US disclosed
US-20100004280-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators ALBANY MOLECULAR RESEARCH, INC. 2010-01-07 US disclosed
WO-2008051404-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 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 (2 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-20120088788-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS BRS3, GPR119, GIPR BRS3 1/4885LTB4R2 1830/4885MME 1139/4885
US-20100004280-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR BRS3 1/4885LTB4R2 1830/4885MME 1139/4885

“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.