SCHEMBL5114091

SCHEMBL5114091

CC[C@](O)(C(=O)NCc1cc(C2CC2)cnc1OC)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CFTR P13569 4/20 0.39
MAPK1 P28482 1/20 0.38
CCR2 P41597 2/20 0.38
KCNH2 Q12809 2/20 0.38
DGAT2 Q96PD7 5/20 0.37
PPARA Q07869 1/20 0.37
EGLN1 Q9GZT9 2/20 0.36
SSTR5 P35346 1/20 0.36
CRHR1 P34998 2/20 0.35
KDM4C Q9H3R0 1/20 0.35
CETP P11597 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
SCHEMBL14192040 1.00 CFTR (0.39) CFTRMAPK1CCR2KCNH2DGAT2
SCHEMBL14192037 0.92 CFTR (0.45) CFTRMAPK1SSTR5
SCHEMBL5107473 0.92 CFTR (0.45) CFTRMAPK1SSTR5
SCHEMBL5106760 0.89 CFTR (0.39) CFTRMAPK1CCR2KCNH2DGAT2
SCHEMBL14192043 0.89 CFTR (0.39) CFTRMAPK1CCR2KCNH2DGAT2
SCHEMBL5104284 0.88 LMNA (0.41) CFTRDGAT2PPARA
SCHEMBL14192033 0.88 LMNA (0.41) CFTRDGAT2PPARA
SCHEMBL14192039 0.88 CFTR (0.38) CFTRMAPK1EGLN1SSTR5CRHR1
SCHEMBL5112424 0.88 CFTR (0.38) CFTRMAPK1EGLN1SSTR5CRHR1
SCHEMBL14192034 0.83 EPHX2 (0.41) CFTRDGAT2

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-20080124402-A1 N-(Pyridin-3-Yl)-2-Phenylbutanamides As Androgen Receptor Modulators MERCK & CO., INC. (US) 2008-05-29 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-20080124402-A1 N-(Pyridin-3-Yl)-2-Phenylbutanamides As Androgen Receptor Modulators SHBG, AR, NR5A1 CFTR 4732/4885MAPK1 2084/4885CCR2 2931/4885

“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.