SCHEMBL502800

SCHEMBL502800

OCC1=C(c2ccc(Br)cc2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
HAO1 Q9UJM8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
HTR2C P28335 2/20 0.32
MAPK14 Q16539 1/20 0.32
DHODH Q02127 2/20 0.31
SLC6A3 Q01959 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP2A6 P11509 1/20 0.31
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
OGG1 O15527 1/20 0.30
ALOX15 P16050 1/20 0.30
PGR P06401 1/20 0.30

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
SCHEMBL1957330 0.81 SLC6A3 (0.46) PTGS2SLC6A3PGR
SCHEMBL21332319 0.78 PTGS2 (0.47) PTGS2ALDH1A1SLC6A3NPC1RAB9A
SCHEMBL1742816 0.77 SLC6A3 (0.46) PTGS2ALDH1A1SLC6A3
SCHEMBL17460618 0.77 FFAR4 (0.46) PTGS2ALDH1A1MAPK1SLC6A3HPGD
SCHEMBL16060200 0.76 FGF23 (0.42) PTGS2ALDH1A1SLC6A3KMT2AMEN1
SCHEMBL1958237 0.76 SLC6A3 (0.47) PTGS2ALDH1A1SLC6A3NPC1RAB9A
SCHEMBL1957416 0.76 SLC6A3 (0.47) PTGS2ALDH1A1SLC6A3NPC1RAB9A
SCHEMBL21855095 0.74 CYP2A6 (0.44) PTGS2ALDH1A1MAPK1HTR2CMAPK14
SCHEMBL28817087 0.74 ALOX15 (0.39) PTGS2ALDH1A1MAPK1HTR2CMAPK14
SCHEMBL2620005 0.73 PTGER1 (0.35) KMT2AMEN1HPGD

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 PTGS2 2214/4885HAO1 4127/4885ALDH1A1 4808/4885
US-20100004280-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR PTGS2 2214/4885HAO1 4127/4885ALDH1A1 4808/4885

“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.