SCHEMBL1801731

SCHEMBL1801731

CCCc1ccc(C(NC(=O)Cc2ccc(C(C)C)cc2)c2cn(C)nn2)nc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 12/20 0.44
CACNA1I Q9P0X4 6/20 0.44
CACNA1G O43497 5/20 0.44
CNR2 P34972 2/20 0.44
KCNH2 Q12809 1/20 0.44
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
SLC22A12 Q96S37 1/20 0.38
NLRP3 Q96P20 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RET P07949 1/20 0.35

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
SCHEMBL1818173 1.00 CACNA1H (0.44) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL1818176 1.00 CACNA1H (0.44) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL6901516 0.87 CACNA1H (0.45) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL1813238 0.87 CACNA1H (0.45) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL1813240 0.87 CACNA1H (0.45) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL11899178 0.83 CNR2 (0.46) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL11899177 0.83 CNR2 (0.46) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL11899179 0.83 CNR2 (0.46) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL11899534 0.83 CACNA1H (0.69) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL11899535 0.83 CACNA1H (0.69) CACNA1HCACNA1ICACNA1GCNR2KCNH2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493297-B1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2016-08-17 EP claimed
US-8987310-B2 Heterocycle amide T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2015-03-24 US claimed
EP-2493297-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2012-09-05 EP claimed
US-20120202852-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME LLC 2012-08-09 US claimed
WO-2011053542-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-05-05 WO claimed
EP-2493297-B1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2016-08-17 EP disclosed
US-8987310-B2 Heterocycle amide T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-20120202852-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME LLC 2012-08-09 US 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-20120202852-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS CACNA1G, CACNA1H, CACNA1I CACNA1H 2/4885CACNA1I 3/4885CACNA1G 1/4885

“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.