SCHEMBL8375346

SCHEMBL8375346

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

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.63
CACNA1I Q9P0X4 12/20 0.63
CACNA1H O95180 2/20 0.46
CYP2D6 P10635 2/20 0.46
CCR2 P41597 1/20 0.44

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
SCHEMBL4278892 0.92 KCNH2 (0.74) KCNH2CACNA1ICACNA1HCYP2D6CCR2
SCHEMBL15353995 0.90 CACNA1I (0.60) KCNH2CACNA1ICACNA1HCYP2D6CCR2
SCHEMBL17860746 0.90 CACNA1I (0.64) KCNH2CACNA1ICACNA1HCYP2D6CCR2
SCHEMBL17860747 0.87 CACNA1I (0.66) KCNH2CACNA1ICACNA1HCYP2D6CCR2
SCHEMBL4276558 0.85 CACNA1I (0.64) KCNH2CACNA1ICACNA1HCYP2D6
SCHEMBL4275125 0.85 KCNH2 (0.60) KCNH2CACNA1ICCR2
SCHEMBL8372942 0.84 KCNH2 (0.64) KCNH2CACNA1ICACNA1HCYP2D6CCR2
SCHEMBL8372923 0.84 KCNH2 (0.67) KCNH2CACNA1ICACNA1HCYP2D6
SCHEMBL17860899 0.84 CACNA1I (0.59) KCNH2CACNA1ICACNA1HCYP2D6CCR2
SCHEMBL17860748 0.84 KCNH2 (0.59) KCNH2CACNA1ICACNA1HCYP2D6CCR2

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-20090298883-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MARK G. DEGIACOMO, CHAPTER 7 TRUSTEE OF EPIRUS BIOPHARMACEUTICALS, INC. 2009-12-03 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 (2 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-20090298883-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B KCNH2 60/4885CACNA1I 4/4885CACNA1H 2/4885
US-20160175315-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B KCNH2 60/4885CACNA1I 4/4885CACNA1H 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.