SCHEMBL2793486

SCHEMBL2793486

O=C(C[S+]([O-])C(c1ccccc1)c1ccccc1)N1CCC(CN2CCCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 3/20 0.50
CACNA1B Q00975 3/20 0.50
CACNB1 Q02641 3/20 0.50
CACNA1C Q13936 1/20 0.50
MAPT P10636 6/20 0.45
LMNA P02545 3/20 0.45
GAA P10253 2/20 0.45
CCR1 P32246 1/20 0.45
TP53 P04637 1/20 0.43
THRB P10828 3/20 0.43
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2791272 0.89 CACNA2D1 (0.62) CACNA2D1CACNA1BCACNB1CACNA1CLMNA
SCHEMBL4275822 0.87 CACNA2D1 (0.69) CACNA2D1CACNA1BCACNB1CACNA1CCCR1
SCHEMBL10953043 0.85 NPC1 (0.49) MAPTLMNAGAAALDH1A1KDM4E
SCHEMBL4275691 0.84 TACR2 (0.57) CACNA2D1CACNA1BCACNB1CACNA1CCCR1
SCHEMBL2791008 0.84 CACNA2D1 (0.46) CACNA2D1CACNA1BCACNB1CACNA1CLMNA
SCHEMBL2793058 0.81 CACNA2D1 (0.73) CACNA2D1CACNA1BCACNB1CACNA1CMAPT
SCHEMBL2794327 0.77 TACR1 (0.39) LMNAHRH3ALDH1A1MEN1KMT2A
SCHEMBL2796374 0.77 CACNA2D1 (0.52) CACNA2D1CACNA1BCACNB1CACNA1CMAPT
SCHEMBL4277158 0.76 CACNA2D1 (0.52) CACNA2D1CACNA1BCACNB1CACNA1CCCR1
SCHEMBL10955671 0.75 MEN1 (0.56) MAPTALDH1A1KDM4EMEN1KMT2A

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.