SCHEMBL6901516

SCHEMBL6901516

CC(C)c1ccc(CC(=O)N[C@@H](c2ccc(Br)cn2)c2cn(C)nn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 9/20 0.45
CACNA1G O43497 3/20 0.45
CACNA1I Q9P0X4 3/20 0.45
CNR2 P34972 2/20 0.45
KCNH2 Q12809 1/20 0.45
S1PR1 P21453 3/20 0.43
S1PR3 Q99500 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PANK3 Q9H999 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL1813238 1.00 CACNA1H (0.45) CACNA1HCACNA1GCACNA1ICNR2KCNH2
SCHEMBL1813240 1.00 CACNA1H (0.45) CACNA1HCACNA1GCACNA1ICNR2KCNH2
SCHEMBL1801731 0.87 CACNA1H (0.44) CACNA1HCACNA1GCACNA1ICNR2KCNH2
SCHEMBL1818176 0.87 CACNA1H (0.44) CACNA1HCACNA1GCACNA1ICNR2KCNH2
SCHEMBL1818173 0.87 CACNA1H (0.44) CACNA1HCACNA1GCACNA1ICNR2KCNH2
SCHEMBL1810779 0.87 CACNA1H (0.42) CACNA1HCACNA1GCACNA1ICNR2KCNH2
SCHEMBL1810775 0.87 CACNA1H (0.42) CACNA1HCACNA1GCACNA1ICNR2KCNH2
SCHEMBL1810777 0.87 CACNA1H (0.42) CACNA1HCACNA1GCACNA1ICNR2KCNH2
SCHEMBL11899179 0.84 CNR2 (0.46) CACNA1HCACNA1GCACNA1ICNR2KCNH2
SCHEMBL11899178 0.84 CNR2 (0.46) CACNA1HCACNA1GCACNA1ICNR2KCNH2

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
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
US-20120202852-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME LLC 2012-08-09 US claimed
EP-2493297-B1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2016-08-17 EP disclosed
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-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
WO-2011053542-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-05-05 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-20120202852-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS CACNA1G, CACNA1H, CACNA1I CACNA1H 2/4885CACNA1G 1/4885CACNA1I 3/4885

“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.