SCHEMBL2796549

SCHEMBL2796549

CC(C)(C)N1CCN(C(=O)C2CCN(C(=O)COC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
ALOX12 P18054 1/20 0.44
CACNA1B Q00975 2/20 0.42
ALDH1A1 P00352 2/20 0.41
NR1I2 O75469 2/20 0.40
RORC P51449 2/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL2794105 0.85 SLC6A2 (0.46) CACNA1BSLC6A2SLC6A4SLC6A3
SCHEMBL2794284 0.84 CACNA1B (0.52) MAPTPKMALOX12CACNA1BALDH1A1
SCHEMBL2796408 0.82 KCNH2 (0.54) CACNA1BSLC6A3
SCHEMBL2797076 0.78 CACNA2D1 (0.40) MAPTPKMALOX12CACNA1BALDH1A1
SCHEMBL2792145 0.77 CACNA2D1 (0.48) CACNA1BALDH1A1L3MBTL1
SCHEMBL26138786 0.76 HPGD (0.47) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL2795615 0.74 CACNA2D1 (0.54) CACNA1BALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL2794307 0.73 TDP1 (0.62) CACNA1BALDH1A1
SCHEMBL3327456 0.73 L3MBTL1 (0.43) ALDH1A1KMT2AL3MBTL1
SCHEMBL3327453 0.73 L3MBTL1 (0.43) ALDH1A1KMT2AL3MBTL1

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 MAPT 2679/4885PKM 4234/4885ALOX12 2193/4885

“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.