SCHEMBL2792145

SCHEMBL2792145

CN1CCN(C(=O)C2CCN(C(=O)COC(c3ccccc3)c3ccccc3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.48
CACNA1B Q00975 2/20 0.48
CACNB1 Q02641 2/20 0.48
CACNA1C Q13936 2/20 0.48
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ACHE P22303 1/20 0.46
CHRM3 P20309 2/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
CHRM1 P11229 2/20 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
SCHEMBL2794421 0.84 CACNA2D1 (0.66) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL2792482 0.83 ALDH1A1 (0.44) CACNA2D1CACNA1BCACNB1ALDH1A1TDP1
SCHEMBL2796736 0.83 TDP1 (0.66) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL10335011 0.82 MEN1 (0.57) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL2792070 0.82 CACNA2D1 (0.65) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL4275876 0.81 CACNA2D1 (0.73) CACNA2D1CACNA1BCACNB1CACNA1CTDP1
SCHEMBL2796516 0.80 ALDH1A1 (0.46) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL2796613 0.79 ALDH1A1 (0.48) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL10401162 0.78 ALDH1A1 (0.50) ALDH1A1TDP1POLBL3MBTL1
SCHEMBL2796549 0.77 MAPT (0.44) CACNA1BALDH1A1L3MBTL1

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.