SCHEMBL16458649

SCHEMBL16458649

O=C(NCC1CCN(CCNS(=O)(=O)C2CC2)CC1)c1ccc(F)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 8/20 0.54
KCNH2 Q12809 7/20 0.54
HTR7 P34969 1/20 0.49
CACNA1H O95180 1/20 0.48
CYP2D6 P10635 1/20 0.48
DRD4 P21917 1/20 0.47
KMT2A Q03164 1/20 0.46
KDM1A O60341 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL4274691 0.87 CACNA1I (0.46) CACNA1IKCNH2HTR7CACNA1HCYP2D6
SCHEMBL4278285 0.86 CACNA1I (0.66) CACNA1IKCNH2HTR7CACNA1HCYP2D6
SCHEMBL4275652 0.86 CACNA1I (0.67) CACNA1IKCNH2CACNA1HCYP2D6
SCHEMBL4271000 0.85 CACNA1I (0.59) CACNA1IKCNH2HTR7CACNA1HCYP2D6
SCHEMBL4274753 0.85 CACNA1I (0.46) CACNA1IKCNH2HTR7CACNA1HCYP2D6
SCHEMBL4273130 0.84 CACNA1I (0.49) CACNA1IKCNH2HTR7CACNA1HCYP2D6
SCHEMBL16478286 0.82 CACNA1I (0.56) CACNA1IKCNH2CACNA1HCYP2D6
SCHEMBL4274395 0.81 CACNA1I (0.58) CACNA1IKCNH2CACNA1HCYP2D6
SCHEMBL15353989 0.81 HDAC3 (0.51) CACNA1IKCNH2HTR7HDAC6
SCHEMBL4279467 0.81 HTR4 (0.58) CACNA1IKCNH2CYP2D6KMT2APOLB

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-9096522-B2 N-piperidinyl acetamide derivatives as calcium channel blockers Zalicus Pharmaceuticals, Ltd. (CA) 2015-08-04 US disclosed
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 CACNA1I 4/4885KCNH2 60/4885HTR7 1938/4885

“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.