SCHEMBL17860747

SCHEMBL17860747

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

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 14/20 0.66
KCNH2 Q12809 13/20 0.66
CACNA1H O95180 2/20 0.52
CYP2D6 P10635 2/20 0.52
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CCR2 P41597 1/20 0.43

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
SCHEMBL4272178 0.92 CACNA1I (0.77) CACNA1IKCNH2CACNA1HCYP2D6HTR1A
SCHEMBL8372923 0.90 KCNH2 (0.67) CACNA1IKCNH2CACNA1HCYP2D6
SCHEMBL17860746 0.90 CACNA1I (0.64) CACNA1IKCNH2CACNA1HCYP2D6MEN1
SCHEMBL4283872 0.88 CACNA1I (0.68) CACNA1IKCNH2CACNA1HCYP2D6HTR1A
SCHEMBL4272249 0.87 CACNA1I (0.67) CACNA1IKCNH2CACNA1HCYP2D6HTR1A
SCHEMBL4269542 0.87 CACNA1I (0.67) CACNA1IKCNH2CACNA1HCYP2D6HTR1A
SCHEMBL17860748 0.87 KCNH2 (0.59) CACNA1IKCNH2CACNA1HCYP2D6MEN1
SCHEMBL17860899 0.87 CACNA1I (0.59) CACNA1IKCNH2CACNA1HCYP2D6HTR1A
SCHEMBL4274781 0.87 CACNA1I (0.75) CACNA1IKCNH2CACNA1HCYP2D6HTR1A
SCHEMBL8375346 0.87 KCNH2 (0.63) 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.