SCHEMBL4146002

SCHEMBL4146002

Cc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)[C@H](NC(=O)OC(C)(C)C)c2cccnc2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLRK1 P26718 8/20 0.38
MICA Q29983 8/20 0.38
RAET1L Q5VY80 8/20 0.38
NAMPT P43490 3/20 0.37
CYP3A4 P08684 2/20 0.36
CYP3A5 P20815 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
PDE2A O00408 1/20 0.35
PTGES O14684 1/20 0.34
AKR1C3 P42330 1/20 0.34
ADORA2B P29275 1/20 0.34

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
SCHEMBL3762423 1.00 KLRK1 (0.38) KLRK1MICARAET1LNAMPTCYP3A4
SCHEMBL264420 0.86 CYP3A4 (0.44) CYP3A4
SCHEMBL264421 0.86 CYP3A4 (0.44) CYP3A4
SCHEMBL4157076 0.83 CCR2 (0.39) CYP3A4PPARGPPARA
SCHEMBL4157072 0.83 CCR2 (0.39) CYP3A4PPARGPPARA
SCHEMBL8081500 0.83 RECQL (0.38) NAMPTCYP3A4CYP3A5HIF1AEPAS1
SCHEMBL3650354 0.83 PPARA (0.38) PPARGPPARA
SCHEMBL266804 0.82 CTSS (0.38) KLRK1MICARAET1LPPARGPPARA
SCHEMBL266805 0.82 CTSS (0.38) KLRK1MICARAET1LPPARGPPARA
Hydrochloric Acid SCHEMBL3641157 0.82 RECQL (0.37) NAMPTCYP3A4CYP3A5HIF1AEPAS1

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 KLRK1 4385/4885MICA 3690/4885RAET1L 3719/4885

“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.