SCHEMBL502422

SCHEMBL502422

O=CC1=C(c2ccc(Br)cc2)CCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FGF23 Q9GZV9 3/20 0.40
SLC6A3 Q01959 1/20 0.36
PTGS2 P35354 10/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
BRD4 O60885 1/20 0.32
PTGS1 P23219 4/20 0.32
GALR1 P47211 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL1958644 0.81 PTGS2 (0.50) FGF23SLC6A3PTGS2ALDH1A1MAPK1
SCHEMBL1700335 0.77 SLC6A3 (0.46) FGF23SLC6A3PTGS2LMNAALDH1A1
SCHEMBL17460574 0.77 PTGS2 (0.47) FGF23SLC6A3PTGS2ALDH1A1MAPK1
SCHEMBL16439215 0.77 MAPK14 (0.47) FGF23SLC6A3PTGS2LMNAALDH1A1
SCHEMBL16439209 0.76 FGF23 (0.55) FGF23SLC6A3PTGS2LMNAALDH1A1
SCHEMBL1956409 0.76 SLC6A3 (0.47) FGF23SLC6A3PTGS2LMNAALDH1A1
SCHEMBL1957401 0.76 SLC6A3 (0.47) FGF23SLC6A3PTGS2LMNAALDH1A1
SCHEMBL1957404 0.76 SLC6A3 (0.47) FGF23SLC6A3PTGS2LMNAALDH1A1
SCHEMBL3378277 0.74 FGF23 (0.53) FGF23SLC6A3PTGS2ALDH1A1
SCHEMBL21855095 0.74 CYP2A6 (0.44) PTGS2ALDH1A1MAPK1PTGS1GALR1

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-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
EP-2083822-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS Merck & Co., Inc. (US) 2009-08-05 EP 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 FGF23 1859/4885SLC6A3 395/4885PTGS2 2214/4885
US-20100004280-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR FGF23 1859/4885SLC6A3 395/4885PTGS2 2214/4885

“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.