SCHEMBL4157076

SCHEMBL4157076

Cc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)[C@@H](NC(=O)OC(C)(C)C)c2cccs2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.39
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTPRB P23467 1/20 0.33
P2RY14 Q15391 1/20 0.33
REN P00797 1/20 0.33
CTSK P43235 4/20 0.33
CTSS P25774 1/20 0.33
UTS2R Q9UKP6 2/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.31
FFAR1 O14842 1/20 0.31
MDM2 Q00987 1/20 0.31

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
SCHEMBL4157072 1.00 CCR2 (0.39) CCR2PPARGPPARACYP3A4CYP2D6
SCHEMBL3650354 0.85 PPARA (0.38) PPARGPPARANPSR1P2RY14UTS2R
SCHEMBL3762423 0.83 KLRK1 (0.38) PPARGPPARACYP3A4
SCHEMBL13949505 0.83 PPARG (0.35) PPARGPPARAP2RY14UTS2R
SCHEMBL4146002 0.83 KLRK1 (0.38) PPARGPPARACYP3A4
SCHEMBL4165129 0.82 CCR2 (0.38) CCR2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4165131 0.82 CCR2 (0.38) CCR2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3647588 0.82 CCR2 (0.38) CCR2CYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL3642476 0.81 CCR2 (0.37) CCR2CYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL3642470 0.81 CCR2 (0.37) CCR2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US 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-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, MTNR1A CCR2 1224/4885PPARG 1475/4885PPARA 629/4885

“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.