SCHEMBL1807696

SCHEMBL1807696

COC(=O)C(C)(C)n1cc([C@@H](NC(=O)Cc2ccc(C(C)(C)C)cc2)c2ccc(OCC(F)(F)F)cn2)nn1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 4/20 0.52
CACNA1H O95180 17/20 0.51
CACNA1G O43497 2/20 0.51
CNR2 P34972 1/20 0.51
KCNH2 Q12809 1/20 0.51
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL11899284 1.00 CACNA1I (0.52) CACNA1ICACNA1HCACNA1GCNR2KCNH2
SCHEMBL11899285 1.00 CACNA1I (0.52) CACNA1ICACNA1HCACNA1GCNR2KCNH2
SCHEMBL12076529 0.92 CACNA1H (0.52) CACNA1ICACNA1HCACNA1GCNR2KCNH2
SCHEMBL17975595 0.92 CACNA1H (0.52) CACNA1ICACNA1HCACNA1GCNR2KCNH2
SCHEMBL1810269 0.90 CACNA1H (0.51) CACNA1ICACNA1HCACNA1GCNR2KCNH2
SCHEMBL6903541 0.90 CACNA1H (0.51) CACNA1ICACNA1HCACNA1GCNR2KCNH2
SCHEMBL1810274 0.90 CACNA1H (0.51) CACNA1ICACNA1HCACNA1GCNR2KCNH2
SCHEMBL11899956 0.90 CACNA1H (0.51) CACNA1ICACNA1HCACNA1GCNR2KCNH2
SCHEMBL11899952 0.90 CACNA1H (0.51) CACNA1ICACNA1HCACNA1GCNR2KCNH2
SCHEMBL1810271 0.90 CACNA1H (0.51) CACNA1ICACNA1HCACNA1GCNR2KCNH2

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 11 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
EP-2493297-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2012-09-05 EP 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
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 CACNA1I 3/4885CACNA1H 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.