SCHEMBL16976239

SCHEMBL16976239

NC1(C(=O)N2CCC(CC(=O)Nc3cc(CF)cc(C(F)(F)F)c3)CC2)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.40
CXCR3 P49682 2/20 0.39
EPHX2 P34913 6/20 0.38
GAA P10253 1/20 0.38
RHOA P61586 3/20 0.36
RHOC P08134 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
LMNA P02545 1/20 0.35
ACP1 P24666 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL4280629 0.92 CXCR3 (0.45) NAMPTCXCR3EPHX2GAARHOA
SCHEMBL15353991 0.92 CXCR3 (0.37) NAMPTCXCR3EPHX2GAARHOA
SCHEMBL4279051 0.91 CXCR3 (0.44) NAMPTCXCR3EPHX2GAARHOA
SCHEMBL4273193 0.88 CXCR3 (0.46) NAMPTCXCR3EPHX2GAARHOA
SCHEMBL15353982 0.85 CXCR3 (0.39) NAMPTCXCR3EPHX2GAARHOA
SCHEMBL4283978 0.83 CXCR3 (0.43) NAMPTCXCR3EPHX2GAARHOA
SCHEMBL15353969 0.83 CXCR3 (0.38) NAMPTCXCR3EPHX2GAARHOA
SCHEMBL8374009 0.81 CXCR3 (0.48) NAMPTCXCR3EPHX2GAARHOA
SCHEMBL8371565 0.81 SMN1; SMN2 (0.38) NAMPTCXCR3EPHX2GAARHOA
SCHEMBL15353967 0.80 CXCR3 (0.48) NAMPTCXCR3EPHX2GAARHOA

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-20160175315-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS, LTD. (CA) 2016-06-23 US disclosed
US-9096522-B2 N-piperidinyl acetamide derivatives as calcium channel blockers Zalicus Pharmaceuticals, Ltd. (CA) 2015-08-04 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 NAMPT 1401/4885CXCR3 3807/4885EPHX2 3915/4885

“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.