SCHEMBL16458438

SCHEMBL16458438

CN(CCN1CCC(CCNC(=O)c2cc(F)cc(C(F)(F)F)c2)CC1)C(=O)C1(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.50
CACNA1I Q9P0X4 4/20 0.50
CHRM4 P08173 2/20 0.42
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
MAOB P27338 1/20 0.38
CCR2 P41597 1/20 0.38
ACHE P22303 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL4274779 0.93 KCNH2 (0.59) KCNH2CACNA1ICACNA1GCACNA1HCCR2
SCHEMBL14770254 0.90 KCNH2 (0.58) KCNH2CACNA1ICACNA1GCACNA1H
SCHEMBL16458439 0.84 KCNH2 (0.41) KCNH2CACNA1ICCR2
SCHEMBL4282547 0.83 KCNH2 (0.58) KCNH2CACNA1ICACNA1GCACNA1H
SCHEMBL4275358 0.82 KCNH2 (0.56) KCNH2CACNA1ICACNA1GCACNA1H
SCHEMBL13569827 0.81 CACNA1I (0.46) KCNH2CACNA1ICACNA1GCACNA1H
SCHEMBL4277277 0.80 CACNA1I (0.63) KCNH2CACNA1ICACNA1GCACNA1H
SCHEMBL4279865 0.80 CACNA1I (0.60) KCNH2CACNA1ICACNA1GCACNA1H
SCHEMBL4269991 0.80 CACNA1I (0.60) KCNH2CACNA1ICACNA1GCACNA1H
SCHEMBL4280515 0.79 CACNA1I (0.61) KCNH2CACNA1ICACNA1GCACNA1H

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-20140011996-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2014-01-09 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-20140011996-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B KCNH2 60/4885CACNA1I 4/4885CHRM4 1983/4885

“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.