SCHEMBL3000988

SCHEMBL3000988

CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2nc(CN3CCNC(=O)C3)co2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.43
ABCB1 P08183 5/20 0.42
ABCC1 P33527 3/20 0.42
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
HRH3 Q9Y5N1 2/20 0.39
GPR119 Q8TDV5 1/20 0.39
SCN9A Q15858 4/20 0.38
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
FFAR1 O14842 1/20 0.35

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
SCHEMBL2995461 0.87 HRH3 (0.52) ALOX5APABCB1ABCC1PPARGPPARA
SCHEMBL3002907 0.86 ALOX5AP (0.43) ALOX5APABCB1ABCC1PPARGPPARA
SCHEMBL2995966 0.85 ALOX5AP (0.44) ALOX5APGPR119SCN9A
SCHEMBL2995819 0.85 ALOX5AP (0.47) ALOX5APABCB1ABCC1PPARGPPARA
SCHEMBL2990949 0.84 ALOX5AP (0.47) ALOX5APABCB1ABCC1PPARGPPARA
SCHEMBL2991267 0.84 ALOX5AP (0.45) ALOX5APABCB1ABCC1PPARGPPARA
SCHEMBL2991929 0.80 ALOX5AP (0.50) ALOX5APPPARGPPARAGPR119FFAR1
SCHEMBL13248455 0.80 ALOX5AP (0.52) ALOX5APPPARGPPARAGPR119FFAR1
SCHEMBL2996098 0.80 ALOX5AP (0.42) ALOX5APABCB1ABCC1PPARGPPARA
SCHEMBL13248470 0.78 ALOX5AP (0.53) ALOX5APPPARGPPARAGPR119FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2546232-A1 Diphenyl Substituted Alkanes Merck Sharp & Dohme Corp. (US) 2013-01-16 EP disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US disclosed
EP-2170065-A1 DIPHENYL SUBSTITUTED ALKANES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 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 (1 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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B ALOX5AP 15/4885ABCB1 1270/4885ABCC1 1081/4885

“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.