SCHEMBL2793083

SCHEMBL2793083

Cc1ccccc1C(CC(=O)N1CCC(C(=O)N2CCN(C)CC2)(c2ccccc2)CC1)c1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.46
OPRM1 P35372 2/20 0.46
OPRD1 P41143 2/20 0.46
KCNH2 Q12809 2/20 0.46
SLC22A1 O15245 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRK1 P41145 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HPGD P15428 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
TET3 O43151 1/20 0.42
FBXL19 Q6PCT2 1/20 0.42
CXXC5 Q7LFL8 1/20 0.42
TET1 Q8NFU7 1/20 0.42
KDM2B Q8NHM5 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
SCHEMBL2790450 0.86 CACNA2D1 (0.55) HSD11B1KMT2AMEN1CACNA2D1CACNA1B
SCHEMBL4417445 0.85 KCNA3 (0.52) HSD11B1OPRM1OPRD1KCNH2SLC22A1
SCHEMBL4563484 0.85 CACNA2D1 (0.57) HSD11B1OPRM1OPRD1KCNH2SLC22A1
SCHEMBL2792021 0.83 KMT2A (0.42) HSD11B1OPRM1OPRD1KCNH2SLC22A1
SCHEMBL2796628 0.82 P2RX7 (0.45) OPRM1OPRD1KCNH2SLC22A1SLC6A4
SCHEMBL18390864 0.78 HSD11B1 (0.73) HSD11B1OPRM1OPRD1KCNH2SLC22A1
SCHEMBL2794491 0.76 GRM7 (0.47) HSD11B1OPRM1OPRD1KCNH2SLC22A1
SCHEMBL18390861 0.76 MEN1 (0.69) HSD11B1OPRM1OPRD1KCNH2SLC22A1
SCHEMBL18390860 0.76 MEN1 (0.74) HSD11B1OPRM1OPRD1KCNH2SLC22A1
SCHEMBL18390061 0.74 MEN1 (0.77) HSD11B1OPRM1OPRD1KCNH2SLC22A1

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 HSD11B1 4697/4885OPRM1 153/4885OPRD1 115/4885

“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.