SCHEMBL2791276

SCHEMBL2791276

CC(C)(C)N1CCN(CC2CCN(C(=O)CC3c4ccccc4-c4ccccc43)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
CACNA2D1 P54289 2/20 0.44
CACNA1B Q00975 2/20 0.44
CACNB1 Q02641 2/20 0.44
CACNA1C Q13936 1/20 0.44
GAA P10253 2/20 0.42
ALDH1A1 P00352 4/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RECQL P46063 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL2792486 0.83 TSHR (0.47) TSHRGAAALDH1A1MEN1KMT2A
SCHEMBL2794772 0.78 CACNA2D1 (0.52) TSHRCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL2796749 0.77 CACNA2D1 (0.73) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL2795615 0.75 CACNA2D1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL4422881 0.75 ALDH1A1 (0.35) TSHRCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL2790390 0.74 CACNA2D1 (0.55) TSHRCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL2790984 0.73 CACNA2D1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL2793260 0.72 CACNA2D1 (0.53) CACNA2D1CACNA1BCACNB1CACNA1CGAA
SCHEMBL26138840 0.72 BDKRB1 (0.38) CACNA2D1CACNA1BCACNB1CACNA1CGAA
SCHEMBL30893488 0.72 SMN1; SMN2 (0.57) MEN1KMT2AHTTCYP3A4CYP2C9

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 TSHR 4549/4885CACNA2D1 22/4885CACNA1B 2/4885

“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.