SCHEMBL4272230

SCHEMBL4272230

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.42
HTR4 Q13639 4/20 0.39
CYP3A4 P08684 2/20 0.39
SLC6A3 Q01959 1/20 0.39
CACNA2D1 P54289 2/20 0.38
CACNA1B Q00975 2/20 0.38
CACNB1 Q02641 2/20 0.38
CACNA1C Q13936 1/20 0.38
CYP2D6 P10635 1/20 0.36
CACNA1G O43497 2/20 0.36
CACNA1H O95180 2/20 0.36
CACNA1I Q9P0X4 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4273009 0.81 TACR2 (0.56) TACR2CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4275673 0.81 TACR2 (0.46) TACR2HTR4CYP3A4SLC6A3CACNA2D1
SCHEMBL4271169 0.80 TACR2 (0.43) TACR2HTR4CYP3A4CACNA2D1CACNA1B
SCHEMBL5048006 0.74 CACNA1G (0.38) TACR2HTR4CYP3A4CYP2D6CACNA1G
SCHEMBL8237608 0.72 SIGMAR1 (0.39) TACR2HTR4CYP3A4SLC6A3CACNA1G
SCHEMBL4284711 0.70 CACNA2D1 (0.71) SLC6A3CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL2795492 0.70 CACNA2D1 (0.65) CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL5047955 0.69 CACNA1G (0.39) TACR2HTR4CYP3A4CYP2D6CACNA1G
SCHEMBL4277158 0.67 CACNA2D1 (0.52) SLC6A3CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL5051949 0.67 TACR2 (0.37) TACR2HTR4CYP3A4CACNA2D1CACNA1B

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-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
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 161/4885HTR4 538/4885CYP3A4 2175/4885

“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.