SCHEMBL2995461

SCHEMBL2995461

CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2nc(CN3CCCC3)co2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.52
ALOX5AP P20292 1/20 0.46
ABCB1 P08183 5/20 0.43
ABCC1 P33527 3/20 0.43
DRD2 P14416 3/20 0.42
HRH1 P35367 2/20 0.42
HTR2A P28223 1/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
FFAR1 O14842 1/20 0.38
MAPK14 Q16539 1/20 0.36
SMO Q99835 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
SCHEMBL2995819 0.90 ALOX5AP (0.47) HRH3ALOX5APABCB1ABCC1DRD2
SCHEMBL2990949 0.90 ALOX5AP (0.47) HRH3ALOX5APABCB1ABCC1DRD2
SCHEMBL2991267 0.90 ALOX5AP (0.45) HRH3ALOX5APABCB1ABCC1DRD2
SCHEMBL3000988 0.87 ALOX5AP (0.43) HRH3ALOX5APABCB1ABCC1DRD2
SCHEMBL2991929 0.85 ALOX5AP (0.50) ALOX5APPPARGPPARAFFAR1MAPK14
SCHEMBL13248455 0.85 ALOX5AP (0.52) ALOX5APPPARGPPARAFFAR1MAPK14
SCHEMBL3002907 0.84 ALOX5AP (0.43) HRH3ALOX5APABCB1ABCC1PPARG
SCHEMBL13248470 0.84 ALOX5AP (0.53) ALOX5APPPARGPPARAFFAR1MAPK14
SCHEMBL13267978 0.83 ALOX5AP (0.54) ALOX5APPPARGPPARAFFAR1MAPK14
SCHEMBL2993020 0.83 ALOX5AP (0.47) ALOX5APHRH1PPARAMAPK14SMO

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 HRH3 697/4885ALOX5AP 15/4885ABCB1 1270/4885

“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.