SCHEMBL5145627

SCHEMBL5145627

CCNC(=O)N1CCC(Oc2cccc(NC(=O)c3cc(OC(F)(F)F)cc(C)c3-c3ccccc3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2J2 P51589 2/20 0.43
▸ CFD P00746 3/20 0.42
▸ KLK7 P49862 1/20 0.42
▸ PRKAA2 P54646 1/20 0.41
▸ TACR1 P25103 2/20 0.39
▸ SCN8A Q9UQD0 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.39

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
SCHEMBL3289653 0.93 EPHX2 (0.42) EPHX2CYP2C9CYP2J2CFDKLK7
SCHEMBL5144228 0.92 EPHX2 (0.45) EPHX2CYP2C9
SCHEMBL3290908 0.91 NAMPT (0.42) EPHX2CYP2C9CYP2J2CFDKLK7
SCHEMBL3295798 0.91 SLC5A7 (0.44) EPHX2CYP2C9CYP2J2CFDKLK7
SCHEMBL5142098 0.89 KMT2A (0.45) EPHX2CYP2C9PRKAA2
SCHEMBL3290058 0.89 CFD (0.42) EPHX2CYP2C9CYP2J2CFD
SCHEMBL5144180 0.89 PRKAA2 (0.41) EPHX2CFDKLK7PRKAA2
SCHEMBL3289178 0.89 EPHX2 (0.45) EPHX2CYP2C9CYP2J2CFDKLK7
SCHEMBL3289992 0.88 EPHX2 (0.46) EPHX2CYP2C9CFDPRKAA2
SCHEMBL5143816 0.88 PRKAA2 (0.41) CFDKLK7PRKAA2

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-20070254919-A1 Aroyl-O-Piperidine Derivatives for the Treatment of Diabetes-Related Problems MERCK PATENT GMBH (DE) 2007-11-01 — — 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-20070254919-A1 Aroyl-O-Piperidine Derivatives for the Treatment of Diabetes-Related Problems GPR119, FABP4, LIPC EPHX2 1594/4885CYP2C9 730/4885CYP2J2 997/4885

“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.

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