SCHEMBL8375469

SCHEMBL8375469

O=C(NCC1CCN(C(=O)[C@@H]2CCCCN2)CC1)c1cc(CF)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.48
CACNA1I Q9P0X4 2/20 0.48
SCN9A Q15858 1/20 0.43
MCHR1 Q99705 3/20 0.39
ALDH1A1 P00352 1/20 0.39
CCR2 P41597 1/20 0.38
WNT3 P56703 2/20 0.38
SFRP1 Q8N474 2/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
RORC P51449 1/20 0.37
GLS O94925 1/20 0.37
HDAC6 Q9UBN7 2/20 0.37
MLYCD O95822 1/20 0.37

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
SCHEMBL15353974 0.97 KCNH2 (0.48) KCNH2CACNA1ISCN9AMCHR1ALDH1A1
SCHEMBL15353964 0.97 KCNH2 (0.48) KCNH2CACNA1ISCN9AMCHR1ALDH1A1
SCHEMBL4282804 0.93 KCNH2 (0.55) KCNH2CACNA1ISCN9AMCHR1WNT3
SCHEMBL4282807 0.93 KCNH2 (0.55) KCNH2CACNA1ISCN9AMCHR1WNT3
SCHEMBL4277729 0.90 KCNH2 (0.56) KCNH2CACNA1ISCN9AMCHR1CCR2
SCHEMBL4280338 0.90 KCNH2 (0.56) KCNH2CACNA1ISCN9AMCHR1CCR2
SCHEMBL4277732 0.90 KCNH2 (0.56) KCNH2CACNA1ISCN9AMCHR1CCR2
SCHEMBL15353972 0.85 KCNH2 (0.47) KCNH2CACNA1IMCHR1ALDH1A1CCR2
SCHEMBL15353973 0.84 KCNH2 (0.48) KCNH2CACNA1IMCHR1ALDH1A1CCR2
SCHEMBL8374023 0.81 EPHX2 (0.41) ALDH1A1WNT3SFRP1

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 3 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-8569344-B2 N-piperidinyl acetamide derivatives as calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2013-10-29 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 4/4885SCN9A 119/4885
US-20160175315-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B KCNH2 60/4885CACNA1I 4/4885SCN9A 119/4885

“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.