SCHEMBL4275673

SCHEMBL4275673

CC1CN(CC2CCOCC2)CC(C)N1C(=O)COC(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CACNA2D1 P54289 2/20 0.40
CACNA1B Q00975 2/20 0.40
CACNB1 Q02641 2/20 0.40
CACNA1C Q13936 1/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
SLC6A2 P23975 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HTR4 Q13639 2/20 0.39
CYP3A4 P08684 1/20 0.39
PRKCB P05771 1/20 0.39
POLB P06746 1/20 0.39
GRM5 P41594 1/20 0.38
GRM7 Q14831 1/20 0.38
GRM3 Q14832 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
SCHEMBL8237608 0.87 SIGMAR1 (0.39) TACR2SLC6A4SLC6A3SLC6A2KDM4E
SCHEMBL4279734 0.82 TACR2 (0.60) TACR2MEN1KMT2ACACNA2D1CACNA1B
SCHEMBL4271169 0.82 TACR2 (0.43) TACR2MEN1KMT2ACACNA2D1CACNA1B
SCHEMBL4272230 0.81 TACR2 (0.42) TACR2MEN1KMT2ACACNA2D1CACNA1B
SCHEMBL5047955 0.75 CACNA1G (0.39) TACR2KDM4EALDH1A1SIGMAR1HTR4
SCHEMBL2794338 0.74 CACNA2D1 (0.50) TACR2CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL2794421 0.71 CACNA2D1 (0.66) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A4
SCHEMBL4275876 0.71 CACNA2D1 (0.73) TACR2CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4277158 0.69 CACNA2D1 (0.52) MEN1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL2795615 0.69 CACNA2D1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A4

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-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-09-03 US claimed
EP-1976841-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2008-10-08 EP claimed
WO-2007071035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-06-28 WO claimed
US-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-09-03 US disclosed
US-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-09-03 US disclosed
US-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-09-03 US disclosed
EP-1976841-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2008-10-08 EP disclosed
WO-2007071035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-06-28 WO disclosed
WO-2007071035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-06-28 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-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS RYR2, CACNA1E, RYR1 TACR2 161/4885MEN1 3119/4885KMT2A 2235/4885

“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.