SCHEMBL17860931

SCHEMBL17860931

NC1(C(=O)N2CCC(CNC(=O)c3cc(CF)cc(C(F)(F)F)c3)CC2)CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.49
CACNA1I Q9P0X4 4/20 0.49
MCHR1 Q99705 3/20 0.40
ALDH1A1 P00352 1/20 0.40
CCR2 P41597 1/20 0.39
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
RORC P51449 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
F2 P00734 2/20 0.36
PLG P00747 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
TPSAB1 Q15661 2/20 0.36
TPSD1 Q9BZJ3 2/20 0.36
TPSG1 Q9NRR2 2/20 0.36

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
SCHEMBL15353975 0.99 KCNH2 (0.48) KCNH2CACNA1IMCHR1ALDH1A1CCR2
SCHEMBL15353971 0.96 KCNH2 (0.51) KCNH2CACNA1IMCHR1ALDH1A1CCR2
SCHEMBL4272469 0.92 KCNH2 (0.57) KCNH2CACNA1IMCHR1CCR2HTR1A
SCHEMBL8375412 0.92 KCNH2 (0.47) KCNH2CACNA1IMCHR1ALDH1A1CCR2
SCHEMBL4275186 0.91 KCNH2 (0.56) KCNH2CACNA1IMCHR1CCR2HTR1A
SCHEMBL4273577 0.88 KCNH2 (0.59) KCNH2CACNA1IMCHR1CCR2HTR1A
SCHEMBL4270457 0.83 KCNH2 (0.54) KCNH2CACNA1IMCHR1CCR2HTR1A
SCHEMBL16976239 0.80 NAMPT (0.40)
SCHEMBL15353990 0.80 KCNH2 (0.57) KCNH2CACNA1IMCHR1CCR2RORC
SCHEMBL8372942 0.79 KCNH2 (0.64) KCNH2CACNA1IMCHR1ALDH1A1CCR2

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 KCNH2 60/4885CACNA1I 4/4885MCHR1 4530/4885

“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.