SCHEMBL2794772

SCHEMBL2794772

CC(C)(C)N1CCN(C(c2ccccc2)C2CCN(C(=O)CC3c4ccccc4-c4ccccc43)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 5/20 0.52
CACNA1B Q00975 5/20 0.52
CACNB1 Q02641 5/20 0.52
CACNA1C Q13936 4/20 0.52
CACNA1G O43497 2/20 0.43
TSHR P16473 1/20 0.42
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.36
IDO1 P14902 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2B6 P20813 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL2794375 0.83 CACNA2D1 (0.73) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL8211038 0.82 CACNA2D1 (0.47) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL8211709 0.81 CACNA2D1 (0.53) CACNA2D1CACNA1BCACNB1CACNA1CTSHR
SCHEMBL2796769 0.80 CACNA2D1 (0.53) CACNA2D1CACNA1BCACNB1CACNA1CUSP2
SCHEMBL2792486 0.79 TSHR (0.47) CACNA1GTSHRKDM4EALDH1A1CYP3A4
SCHEMBL2791276 0.78 TSHR (0.46) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL2796402 0.78 CACNA2D1 (0.60) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL2791224 0.77 CACNA2D1 (0.58) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL2794855 0.76 CACNA2D1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1COPRM1
SCHEMBL2791108 0.76 TSHR (0.43) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168103-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2010-07-01 US claimed
EP-2061780-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2009-05-27 EP claimed
WO-2008031227-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-03-20 WO claimed
US-20100168103-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2010-07-01 US disclosed
US-20100168103-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2010-07-01 US disclosed
US-20100168103-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2010-07-01 US disclosed
WO-2008031227-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-03-20 WO 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-20100168103-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1B, ORAI1 CACNA2D1 22/4885CACNA1B 2/4885CACNB1 11/4885

“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.