SCHEMBL13610689

SCHEMBL13610689

CC(C)(Oc1ccc(CF)cn1)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
PPARA Q07869 3/20 0.38
CNR1 P21554 8/20 0.37
CNR2 P34972 2/20 0.37
MAP4K4 O95819 1/20 0.37
NNMT P40261 2/20 0.36
HSD11B1 P28845 4/20 0.35
HSD11B2 P80365 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
SCHEMBL13577681 0.87 CYP4F2 (0.49) CYP4F2CYP4A11PPARACNR1CNR2
SCHEMBL16326512 0.78 KDM4E (0.45) CNR1CNR2MAP4K4NNMTHSD11B1
SCHEMBL3584331 0.78 KMT2A (0.51) CNR1CNR2
SCHEMBL2826311 0.77 MAP4K4 (0.50) PPARACNR1CNR2MAP4K4NNMT
SCHEMBL16385775 0.70 KDM1A (0.43) NNMT
SCHEMBL28504688 0.69 DGAT1 (0.59)
SCHEMBL23309376 0.69 PPARA (0.44) CYP4F2CYP4A11PPARACNR1CNR2
Hydrochloric Acid SCHEMBL28051232 0.69 KDM1A (0.42) NNMT
SCHEMBL16417282 0.67 MAPK1 (0.59)
SCHEMBL23309380 0.67 PPARA (0.47) CYP4F2CYP4A11PPARACNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629470-B2 Formation of tetra-substituted enamides and stereoselective reduction thereof MERCK & CO., INC. (US) 2009-12-08 US disclosed
US-7595417-B2 Cyanation of aromatic halides MERCK & CO., INC. (US) 2009-09-29 US disclosed
US-20090018340-A1 Formation of Tetra-Substituted Enamides and Stereoselective Reduction Thereof MERCK SHARP & DOHME CORP. 2009-01-15 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-20090018340-A1 Formation of Tetra-Substituted Enamides and Stereoselective Reduction Thereof ENY2, INF2, ECI1 CYP4F2 455/4885CYP4A11 1917/4885PPARA 1575/4885

“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.