SCHEMBL17860746

SCHEMBL17860746

CCC(=O)NCCN1CCC(CNC(=O)c2cc(CF)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 14/20 0.64
KCNH2 Q12809 11/20 0.64
CACNA1H O95180 3/20 0.49
CYP2D6 P10635 2/20 0.49
CCR2 P41597 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CACNA1G O43497 1/20 0.42
GSK3B P49841 1/20 0.41

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
SCHEMBL4276552 0.92 CACNA1I (0.75) CACNA1IKCNH2CACNA1HCYP2D6CCR2
SCHEMBL8375346 0.90 KCNH2 (0.63) CACNA1IKCNH2CACNA1HCYP2D6CCR2
SCHEMBL17860747 0.90 CACNA1I (0.66) CACNA1IKCNH2CACNA1HCYP2D6CCR2
SCHEMBL15353995 0.89 CACNA1I (0.60) CACNA1IKCNH2CACNA1HCYP2D6CCR2
SCHEMBL8373973 0.89 CACNA1I (0.60) CACNA1IKCNH2CACNA1HCYP2D6CCR2
SCHEMBL17860899 0.88 CACNA1I (0.59) CACNA1IKCNH2CACNA1HCYP2D6CCR2
SCHEMBL8372923 0.87 KCNH2 (0.67) CACNA1IKCNH2CACNA1HCYP2D6CACNA1G
SCHEMBL17860748 0.86 KCNH2 (0.59) CACNA1IKCNH2CACNA1HCYP2D6CCR2
SCHEMBL8372955 0.86 KCNH2 (0.58) CACNA1IKCNH2CACNA1HCYP2D6CCR2
SCHEMBL8370965 0.85 KCNH2 (0.58) CACNA1IKCNH2CACNA1HCYP2D6CCR2

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 CACNA1I 4/4885KCNH2 60/4885CACNA1H 2/4885

“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.