SCHEMBL17860811

SCHEMBL17860811

O=C(CC1CCN(C(=O)[C@H]2CCCN2)CC1)Nc1cc(CF)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.42
NAMPT P43490 1/20 0.39
P2RX7 Q99572 1/20 0.39
WNT3 P56703 2/20 0.39
SFRP1 Q8N474 2/20 0.39
CXCR3 P49682 2/20 0.38
GAA P10253 1/20 0.38
KDR P35968 1/20 0.37
RHOA P61586 3/20 0.35
CTSS P25774 2/20 0.35
RHOC P08134 2/20 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
SCHEMBL15353984 1.00 EPHX2 (0.42) EPHX2NAMPTP2RX7WNT3SFRP1
SCHEMBL8374023 0.97 EPHX2 (0.41) EPHX2NAMPTP2RX7WNT3SFRP1
SCHEMBL4274641 0.92 EPHX2 (0.46) EPHX2NAMPTP2RX7WNT3SFRP1
SCHEMBL4274644 0.92 EPHX2 (0.46) EPHX2NAMPTP2RX7WNT3SFRP1
SCHEMBL4282594 0.92 EPHX2 (0.46) EPHX2NAMPTP2RX7WNT3SFRP1
SCHEMBL4279471 0.89 EPHX2 (0.45) EPHX2NAMPTP2RX7WNT3SFRP1
SCHEMBL4279470 0.89 EPHX2 (0.45) EPHX2NAMPTP2RX7WNT3SFRP1
SCHEMBL12015290 0.89 EPHX2 (0.45) EPHX2NAMPTP2RX7WNT3SFRP1
SCHEMBL17861010 0.85 EPHX2 (0.41) EPHX2NAMPTCXCR3GAARHOA
SCHEMBL6863832 0.83 CXCR3 (0.42) EPHX2NAMPTP2RX7WNT3SFRP1

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-20160175315-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS, LTD. (CA) 2016-06-23 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-20160175315-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B EPHX2 3915/4885NAMPT 1401/4885P2RX7 448/4885

“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.