SCHEMBL11899178

SCHEMBL11899178

CC(C)c1ccc(CC(=O)NC(c2ccccn2)c2cn(C)nn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.46
CACNA1H O95180 6/20 0.44
CACNA1G O43497 2/20 0.44
CACNA1I Q9P0X4 2/20 0.44
KMT2A Q03164 5/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
KCNH2 Q12809 1/20 0.40
NLRP3 Q96P20 1/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
BRD4 O60885 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL11899177 1.00 CNR2 (0.46) CNR2CACNA1HCACNA1GCACNA1IKMT2A
SCHEMBL11899179 1.00 CNR2 (0.46) CNR2CACNA1HCACNA1GCACNA1IKMT2A
SCHEMBL1813240 0.84 CACNA1H (0.45) CNR2CACNA1HCACNA1GCACNA1IKMT2A
SCHEMBL6901516 0.84 CACNA1H (0.45) CNR2CACNA1HCACNA1GCACNA1IKMT2A
SCHEMBL1813238 0.84 CACNA1H (0.45) CNR2CACNA1HCACNA1GCACNA1IKMT2A
SCHEMBL1818176 0.83 CACNA1H (0.44) CNR2CACNA1HCACNA1GCACNA1IKCNH2
SCHEMBL1801731 0.83 CACNA1H (0.44) CNR2CACNA1HCACNA1GCACNA1IKCNH2
SCHEMBL1818173 0.83 CACNA1H (0.44) CNR2CACNA1HCACNA1GCACNA1IKCNH2
SCHEMBL1065398 0.82 CNR2 (0.56) CNR2CACNA1HCACNA1GCACNA1IKMT2A
SCHEMBL11899535 0.80 CACNA1H (0.69) CNR2CACNA1HCACNA1GCACNA1IKCNH2

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
EP-2493297-B1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2016-08-17 EP 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
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
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 CNR2 155/4885CACNA1H 2/4885CACNA1G 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.