SCHEMBL18176594

SCHEMBL18176594

C[C@@](O)(C(=O)N1CCC(c2ccnn2-c2ccc(Cl)c(F)c2)CC1)C(F)F

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PRCP P42785 20/20 0.49

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
SCHEMBL16827868 0.88 PRCP (0.50) PRCP
SCHEMBL16827873 0.88 PRCP (0.50) PRCP
SCHEMBL18176573 0.83 PRCP (0.40) PRCP
SCHEMBL16845855 0.82 CYP3A4 (0.40) PRCP
SCHEMBL18176589 0.80 TP53 (0.40) PRCP
SCHEMBL18169253 0.80 PRCP (0.49) PRCP
SCHEMBL18169254 0.80 PRCP (0.49) PRCP
SCHEMBL16845854 0.80 PRCP (0.40) PRCP
SCHEMBL16827995 0.74 PDK2 (0.54) PRCP
SCHEMBL16827993 0.74 PDK2 (0.54) PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751861-B2 N1-(3,3,3-trifluoro-2-hydroxo-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase MERCK PATENT GMBH (DE) 2017-09-05 US disclosed
US-20160311798-A1 N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE MERCK PATENT GMBH (DE) 2016-10-27 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-20160311798-A1 N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE PDK1, PDK3, PDK2 PRCP 1305/4885

“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.