SCHEMBL2796150

SCHEMBL2796150

O=C(NC(c1ccccc1)c1ccccc1)N1CCC(CN2CCCCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
LMNA P02545 4/20 0.57
GAA P10253 2/20 0.57
HTT P42858 1/20 0.56
TP53 P04637 1/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
THRB P10828 3/20 0.54
CACNA2D1 P54289 1/20 0.53
CACNA1B Q00975 1/20 0.53
CACNB1 Q02641 1/20 0.53
CACNA1C Q13936 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
CCR1 P32246 1/20 0.51

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
SCHEMBL13496706 0.89 HTT (0.64) MAPTLMNAGAAHTTCACNA2D1
SCHEMBL3395921 0.88 HTT (0.67) MAPTLMNAGAAHTTKMT2A
SCHEMBL2841733 0.88 MAPT (0.53) MAPTLMNAGAATP53THRB
SCHEMBL2795518 0.88 CACNA2D1 (0.61) MAPTLMNAGAAHTTKMT2A
SCHEMBL2844526 0.86 MAPT (0.53) MAPTLMNAGAATP53THRB
SCHEMBL3394200 0.85 CACNA2D1 (0.67) MAPTLMNAGAAHTTCACNA2D1
SCHEMBL2791261 0.85 HTT (0.54) MAPTLMNAGAAHTTKMT2A
SCHEMBL3396203 0.84 HTT (0.59) MAPTLMNAGAAHTTKMT2A
SCHEMBL3394473 0.83 HTT (0.58) MAPTLMNAHTTCACNA2D1CACNA1B
SCHEMBL2796374 0.83 CACNA2D1 (0.52) MAPTLMNAGAATP53KMT2A

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 9 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
EP-2061780-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2009-05-27 EP disclosed
WO-2008031227-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-03-20 WO 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 MAPT 2679/4885LMNA 544/4885GAA 1733/4885

“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.