SCHEMBL4279734

SCHEMBL4279734

O=C(COC(c1ccccc1)c1ccccc1)N1CCN(CC2CCOCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.60
CACNA2D1 P54289 3/20 0.54
CACNA1B Q00975 3/20 0.54
CACNB1 Q02641 3/20 0.54
CACNA1C Q13936 1/20 0.54
POLB P06746 1/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SLC6A2 P23975 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
KCNH2 Q12809 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
GRM5 P41594 1/20 0.42
GRM7 Q14831 1/20 0.42
GRM3 Q14832 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
SCHEMBL4275876 0.86 CACNA2D1 (0.73) TACR2CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL2794421 0.84 CACNA2D1 (0.66) CACNA2D1CACNA1BCACNB1CACNA1CPOLB
SCHEMBL4275673 0.82 TACR2 (0.46) TACR2CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL10335011 0.82 MEN1 (0.57) CACNA2D1CACNA1BCACNB1CACNA1CPOLB
SCHEMBL2795615 0.81 CACNA2D1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A4
SCHEMBL4275691 0.81 TACR2 (0.57) TACR2CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4271731 0.81 TACR2 (0.56) TACR2CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4273009 0.81 TACR2 (0.56) TACR2CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL2794338 0.78 CACNA2D1 (0.50) TACR2CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL5065803 0.76 LMNA (0.58) POLBCYP2D6MEN1KMT2AALDH1A1

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-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-09-03 US 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 161/4885CACNA2D1 45/4885CACNA1B 5/4885

“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.