SCHEMBL1065222

SCHEMBL1065222

C[C@@H](NC(=O)Cc1ccc(C(C)(C)C)cc1)c1ccc(Cl)cn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 4/20 0.73
CACNA1H O95180 4/20 0.54
CNR2 P34972 4/20 0.54
CACNA1G O43497 2/20 0.54
KCNH2 Q12809 1/20 0.54
S1PR1 P21453 2/20 0.50
S1PR3 Q99500 2/20 0.50
SLC22A12 Q96S37 1/20 0.49
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
P2RX3 P56373 1/20 0.42
P2RX2 Q9UBL9 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
B3GNT2 Q9NY97 1/20 0.41

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
SCHEMBL1064489 0.86 CACNA1I (0.73) CACNA1ICACNA1HCNR2CACNA1GKCNH2
SCHEMBL27772081 0.85 CACNA1I (1.00) CACNA1ICACNA1HCNR2CACNA1GKCNH2
SCHEMBL1062763 0.85 CACNA1I (1.00) CACNA1ICACNA1HCNR2CACNA1GKCNH2
SCHEMBL1063414 0.83 CACNA1I (0.80) CACNA1ICACNA1HCNR2CACNA1GKCNH2
SCHEMBL27772087 0.80 CACNA1I (0.75) CACNA1ICACNA1HCNR2CACNA1GKCNH2
SCHEMBL27772082 0.79 CACNA1I (0.74) CACNA1ICACNA1HCNR2CACNA1GKCNH2
SCHEMBL1065272 0.79 CACNA1I (0.72) CACNA1ICACNA1HCNR2CACNA1GKCNH2
SCHEMBL1813348 0.78 CACNA1I (0.63) CACNA1ICACNA1HCNR2CACNA1GKCNH2
SCHEMBL1063570 0.78 CACNA1I (0.71) CACNA1ICACNA1HCNR2CACNA1GKCNH2
SCHEMBL23328328 0.76 CACNA1I (0.62) CACNA1ICACNA1HCNR2CACNA1GKCNH2

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 21 patents — showing the first 20. 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-8263627-B2 Pyridyl amide T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2012-09-11 US claimed
US-20110112064-A1 Pyridyl Amide T-Type Calcium Channel Antagonists MERCK SHARP & DOHME CORP. (US) 2011-05-12 US claimed
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 claimed
US-20090275550-A1 Pyridyl Amide T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2009-11-05 US claimed
CN-101466676-A Pyridyl amide T-type calcium channel antagonists MERCK & CO INC (US) 2009-06-24 CN claimed
EP-2010493-A2 PYRIDYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck & Co., Inc. (US) 2009-01-07 EP claimed
WO-2007120729-A2 PYRIDYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2007-10-25 WO claimed
EP-2010493-B1 PYRIDYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2016-01-27 EP disclosed
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-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 CACNA1I 3/4885CACNA1H 2/4885CNR2 194/4885
US-20090275550-A1 Pyridyl Amide T-Type Calcium Channel Antagonists CACNA1G, CACNA1H, CACNA1I CACNA1I 3/4885CACNA1H 2/4885CNR2 194/4885

“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.