SCHEMBL2796409

SCHEMBL2796409

CC1CN(C(=O)C2(c3ccccc3)CCN(Cc3ccccc3)CC2)CC(C)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.49
OPRL1 P41146 1/20 0.48
POLB P06746 1/20 0.47
HSD11B1 P28845 3/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 4/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
CYP2C19 P33261 2/20 0.45
TSHR P16473 2/20 0.44
CYP2C9 P11712 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL2793564 0.81 HSD11B1 (0.50) HSD11B1KMT2AALDH1A1MEN1LMNA
SCHEMBL2790694 0.81 MC4R (0.55) CYP2D6OPRL1POLBHSD11B1KMT2A
SCHEMBL2796032 0.80 HSD11B1 (0.71) CYP2D6OPRL1POLBHSD11B1KMT2A
SCHEMBL2794432 0.79 CACNA2D1 (0.46) HSD11B1KMT2AMEN1SMN1; SMN2
SCHEMBL3396545 0.78 MC4R (0.55) CYP2D6OPRL1HSD11B1KMT2AALDH1A1
SCHEMBL5330651 0.77 CYP2D6 (0.61) CYP2D6OPRL1POLBKMT2AALDH1A1
SCHEMBL2794291 0.77 OPRL1 (0.64) CYP2D6OPRL1POLBKMT2AALDH1A1
SCHEMBL2796788 0.76 TSHR (0.48) HSD11B1KMT2AALDH1A1MEN1LMNA
SCHEMBL2792770 0.76 OPRL1 (0.49) CYP2D6OPRL1POLBKMT2AALDH1A1
SCHEMBL2793126 0.76 KMT2A (0.67) POLBKMT2AALDH1A1MEN1KDM4E

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 5 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 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

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 CYP2D6 2457/4885OPRL1 94/4885POLB 2652/4885

“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.