SCHEMBL16458439

SCHEMBL16458439

CC(NC(=O)c1cc(F)cc(C(F)(F)F)c1)C1CCN(CCN(C)C(=O)C2(C)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.41
CACNA1I Q9P0X4 1/20 0.41
BDKRB1 P46663 6/20 0.40
CCR2 P41597 2/20 0.38
UBE2M P61081 7/20 0.36
DCUN1D1 Q96GG9 7/20 0.36
S1PR2 O95136 1/20 0.35
TACR1 P25103 1/20 0.35
TACR3 P29371 1/20 0.35

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 0.85 KCNH2 (0.59) KCNH2CACNA1ICCR2
SCHEMBL16458438 0.84 KCNH2 (0.50) KCNH2CACNA1ICCR2
SCHEMBL14770254 0.83 KCNH2 (0.58) KCNH2CACNA1I
SCHEMBL4282547 0.76 KCNH2 (0.58) KCNH2CACNA1I
SCHEMBL4275358 0.75 KCNH2 (0.56) KCNH2CACNA1I
SCHEMBL4269991 0.74 CACNA1I (0.60) KCNH2CACNA1I
SCHEMBL13569827 0.73 CACNA1I (0.46) KCNH2CACNA1I
SCHEMBL4277277 0.73 CACNA1I (0.63) KCNH2CACNA1I
SCHEMBL4279865 0.72 CACNA1I (0.60) KCNH2CACNA1IUBE2MDCUN1D1
SCHEMBL19112605 0.72 KCNH2 (0.52) KCNH2CACNA1I

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 4/4885BDKRB1 2152/4885

“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.