SCHEMBL2790984

SCHEMBL2790984

CC(C)(C)N1CCN(CC2CCN(C(=O)CCCCC(c3ccccc3)c3ccccc3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 3/20 0.54
CACNA1B Q00975 3/20 0.54
CACNB1 Q02641 3/20 0.54
CACNA1C Q13936 2/20 0.54
KCNH2 Q12809 8/20 0.47
TACR2 P21452 1/20 0.43
CACNA1F O60840 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
HRH2 P25021 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
ADRA1B P35368 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 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
SCHEMBL2792739 0.91 KCNH2 (0.57) CACNA1BCACNA1CKCNH2CACNA1FDRD1
SCHEMBL2796749 0.86 CACNA2D1 (0.73) CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL2793051 0.84 ALDH1A1 (0.46) KCNH2
SCHEMBL2795615 0.83 CACNA2D1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A3
SCHEMBL2791261 0.78 HTT (0.54) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A3
SCHEMBL2790390 0.76 CACNA2D1 (0.55) CACNA2D1CACNA1BCACNB1CACNA1CTACR2
SCHEMBL2796408 0.76 KCNH2 (0.54) CACNA1BCACNA1CKCNH2CACNA1FDRD1
SCHEMBL2793260 0.74 CACNA2D1 (0.53) CACNA2D1CACNA1BCACNB1CACNA1CDRD4
SCHEMBL2791276 0.73 TSHR (0.46) CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL8212834 0.73 CACNA2D1 (0.91) CACNA2D1CACNA1BCACNB1CACNA1C

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 6 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

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.