SCHEMBL13148263

SCHEMBL13148263

O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(C(=O)c2cccc(F)n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 14/20 0.60
TRPV1 Q8NER1 2/20 0.56
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
FAAH O00519 1/20 0.53
GOT1 P17174 1/20 0.52
ACHE P22303 1/20 0.52

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
SCHEMBL28491 0.85 HPGDS (0.64) EPHX2TRPV1
SCHEMBL13148292 0.85 KMT2A (0.56) TRPV1CYP2C19FAAH
SCHEMBL6538866 0.78 EPHX2 (0.67) EPHX2CYP2C9CYP2C19
SCHEMBL4558228 0.77 EPHX2 (0.91) EPHX2TRPV1CYP2C9CYP2C19ACHE
SCHEMBL15170992 0.76 EPHX2 (0.73) EPHX2
SCHEMBL13873283 0.76 EPHX2 (1.00) EPHX2CYP2C9CYP2C19ACHE
SCHEMBL4393722 0.74 EPHX2 (0.75) EPHX2TRPV1CYP2C9CYP2C19GOT1
SCHEMBL20236394 0.74 EPHX2 (0.75) EPHX2TRPV1CYP2C9CYP2C19FAAH
SCHEMBL13634099 0.74 EPHX2 (0.75) EPHX2CYP2C9CYP2C19
SCHEMBL7532176 0.73 EPHX2 (0.70) EPHX2TRPV1CYP2C9CYP2C19GOT1

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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US disclosed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS EPHX2 381/4885TRPV1 137/4885CYP2C9 1877/4885

“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.