SCHEMBL2791464

SCHEMBL2791464

CC(C)(C)N1CCN(C(=O)C2CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 7/20 0.53
CACNA1B Q00975 7/20 0.53
CACNB1 Q02641 7/20 0.53
CACNA1C Q13936 4/20 0.53
HTT P42858 1/20 0.50
ALDH1A1 P00352 3/20 0.48
HRH3 Q9Y5N1 1/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL2797076 0.89 CACNA2D1 (0.40) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL2795523 0.87 TSHR (0.46) CACNA2D1CACNA1BCACNB1CACNA1CHTT
SCHEMBL2796224 0.87 CACNA2D1 (0.56) CACNA2D1CACNA1BCACNB1CACNA1CHTT
SCHEMBL2791261 0.82 HTT (0.54) CACNA2D1CACNA1BCACNB1CACNA1CHTT
SCHEMBL2794855 0.82 CACNA2D1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1CHTT
SCHEMBL2794307 0.80 TDP1 (0.62) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL2791095 0.79 CACNA2D1 (0.50) CACNA2D1CACNA1BCACNB1CACNA1CHTT
SCHEMBL17512449 0.78 CACNA2D1 (0.81) CACNA2D1CACNA1BCACNB1CACNA1CHTT
SCHEMBL2793051 0.76 ALDH1A1 (0.46) ALDH1A1HRH3CNR1CNR2
SCHEMBL3393147 0.74 CACNA2D1 (0.50) CACNA2D1CACNA1BCACNB1CACNA1CHTT

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.