SCHEMBL2796516

SCHEMBL2796516

CN1CCN(C(=O)C2CCN(C(=O)C[S+]([O-])C(c3ccccc3)c3ccccc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
CHRM1 P11229 2/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
ALOX12 P18054 1/20 0.44
CACNA2D1 P54289 2/20 0.44
CACNA1B Q00975 2/20 0.44
CACNB1 Q02641 2/20 0.44
CACNA1C Q13936 2/20 0.44
CHRM3 P20309 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
BDKRB1 P46663 1/20 0.43
USP2 O75604 1/20 0.43
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL2791272 0.83 CACNA2D1 (0.62) ALDH1A1CHRM1CACNA2D1CACNA1BCACNB1
SCHEMBL4275822 0.81 CACNA2D1 (0.69) ALDH1A1CHRM1CACNA2D1CACNA1BCACNB1
SCHEMBL2796736 0.81 TDP1 (0.66) ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL2792145 0.80 CACNA2D1 (0.48) ALDH1A1CHRM1CACNA2D1CACNA1BCACNB1
SCHEMBL2796613 0.77 ALDH1A1 (0.48) ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL10953043 0.77 NPC1 (0.49) ALDH1A1MAPTTDP1MEN1TSHR
SCHEMBL4273969 0.76 CACNA2D1 (0.62) ALDH1A1MAPTPKMCACNA2D1CACNA1B
SCHEMBL10955671 0.74 MEN1 (0.56) ALDH1A1MAPTUSP2MEN1TSHR
SCHEMBL2793486 0.74 CACNA2D1 (0.50) ALDH1A1MAPTCACNA2D1CACNA1BCACNB1
SCHEMBL4272736 0.74 CACNA2D1 (0.49) ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C

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 ALDH1A1 1884/4885CHRM1 289/4885MAPT 2679/4885

“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.