SCHEMBL2795495

SCHEMBL2795495

Cc1ccccc1C(CC(=O)N1CCC(C(=O)N2CCN(C(C)(C)C)CC2)CC1)c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
CCR6 P51684 1/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
ALDH1A1 P00352 5/20 0.43
TSHR P16473 2/20 0.42
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
ALOX12 P18054 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
CACNA1G O43497 2/20 0.39
CACNA2D1 P54289 2/20 0.39

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
SCHEMBL2792194 0.87 MEN1 (0.47) TDP1KMT2AMEN1HRH3ALDH1A1
SCHEMBL2794307 0.86 TDP1 (0.62) TDP1HRH3ALDH1A1CACNA1GCACNA2D1
SCHEMBL2795855 0.84 TDP1 (0.47) TDP1CCR6KMT2AHPGDMEN1
SCHEMBL2790390 0.84 CACNA2D1 (0.55) TDP1KMT2AHPGDMEN1CYP1A2
SCHEMBL2796402 0.81 CACNA2D1 (0.60) TDP1KMT2AHPGDMEN1CYP1A2
SCHEMBL2793743 0.80 TDP1 (0.46) TDP1CCR6KMT2AHPGDMEN1
SCHEMBL2794284 0.79 CACNA1B (0.52) TDP1ALDH1A1MAPTPKMALOX12
SCHEMBL2793051 0.75 ALDH1A1 (0.46) TDP1HRH3ALDH1A1
SCHEMBL2792486 0.73 TSHR (0.47) CCR6KMT2AHPGDMEN1CYP1A2
SCHEMBL2796736 0.73 TDP1 (0.66) TDP1ALDH1A1CACNA1GCACNA2D1CACNA1B

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 TDP1 2951/4885CCR6 4311/4885KMT2A 4372/4885

“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.