SCHEMBL1063508

SCHEMBL1063508

CC(C)(C)c1ccc(CC(=O)N[C@H](CCO)c2ccc(OCC(F)(F)F)cn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 8/20 0.59
CACNA1I Q9P0X4 4/20 0.59
CACNA1G O43497 2/20 0.59
CNR2 P34972 2/20 0.59
KCNH2 Q12809 1/20 0.59
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
UTS2R Q9UKP6 3/20 0.40
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
VNN1 O95497 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
SCHEMBL1057370 0.85 CACNA1I (0.75) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL1065091 0.84 CACNA1I (0.58) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL1065370 0.82 CACNA1I (0.56) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL1063757 0.82 CACNA1I (0.64) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL11899956 0.80 CACNA1H (0.51) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL6903541 0.80 CACNA1H (0.51) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL11899952 0.80 CACNA1H (0.51) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL1060457 0.79 CACNA1I (0.82) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL11901391 0.79 CACNA1H (0.55) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL11901400 0.79 CACNA1H (0.55) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010493-B1 PYRIDYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2016-01-27 EP claimed
US-20110112064-A1 Pyridyl Amide T-Type Calcium Channel Antagonists MERCK SHARP & DOHME CORP. (US) 2011-05-12 US claimed
US-20090275550-A1 Pyridyl Amide T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2009-11-05 US claimed
EP-2010493-B1 PYRIDYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2016-01-27 EP disclosed
US-8263627-B2 Pyridyl amide T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2012-09-11 US disclosed
US-8263627-B2 Pyridyl amide T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2012-09-11 US disclosed
US-20110112064-A1 Pyridyl Amide T-Type Calcium Channel Antagonists MERCK SHARP & DOHME CORP. (US) 2011-05-12 US disclosed
US-20110112064-A1 Pyridyl Amide T-Type Calcium Channel Antagonists MERCK SHARP & DOHME CORP. (US) 2011-05-12 US disclosed
US-7875636-B2 2-(4-isopropenylphenyl)-N-[(1R)-1-(5-(2,2,2-trifluoroethoxy)pyridin-2-yl)ethyl]acetamide; epilepsy, pain, neuropathic pain, schizophrenia, Parkinson's disease, depression, anxiety, sleep disorders, psychosis, schizophrenia, cardiac arrhythmia and hypertension MERCK SHARP & DOHME CORP. (US) 2011-01-25 US disclosed
US-7875636-B2 2-(4-isopropenylphenyl)-N-[(1R)-1-(5-(2,2,2-trifluoroethoxy)pyridin-2-yl)ethyl]acetamide; epilepsy, pain, neuropathic pain, schizophrenia, Parkinson's disease, depression, anxiety, sleep disorders, psychosis, schizophrenia, cardiac arrhythmia and hypertension MERCK SHARP & DOHME CORP. (US) 2011-01-25 US disclosed
US-7875636-B2 2-(4-isopropenylphenyl)-N-[(1R)-1-(5-(2,2,2-trifluoroethoxy)pyridin-2-yl)ethyl]acetamide; epilepsy, pain, neuropathic pain, schizophrenia, Parkinson's disease, depression, anxiety, sleep disorders, psychosis, schizophrenia, cardiac arrhythmia and hypertension MERCK SHARP & DOHME CORP. (US) 2011-01-25 US disclosed
US-20090275550-A1 Pyridyl Amide T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2009-11-05 US disclosed
US-20090275550-A1 Pyridyl Amide T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2009-11-05 US disclosed
US-20090275550-A1 Pyridyl Amide T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2009-11-05 US disclosed
WO-2007120729-A2 PYRIDYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2007-10-25 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 (2 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-20110112064-A1 Pyridyl Amide T-Type Calcium Channel Antagonists CACNA1G, CACNA1H, CACNA1I CACNA1H 2/4885CACNA1I 3/4885CACNA1G 1/4885
US-20090275550-A1 Pyridyl 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.