SCHEMBL1064694

SCHEMBL1064694

CC(C)CCNc1ccc(CNC(=O)Cc2ccc(C(C)(C)C)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ESRRB O95718 1/20 0.44
ESRRG P62508 1/20 0.44
CACNA1I Q9P0X4 2/20 0.42
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
ADORA2A P29274 1/20 0.39
CACNA1H O95180 3/20 0.39
POLB P06746 1/20 0.39
CACNA1G O43497 1/20 0.38
CACNA1C Q13936 1/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 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
SCHEMBL1060175 0.87 LMNA (0.48) LMNASMN1; SMN2ESRRBESRRGCACNA1I
SCHEMBL8234505 0.85 LMNA (0.45) LMNASMN1; SMN2ESRRBESRRGCACNA1I
SCHEMBL3030394 0.74 ESRRB (0.49) LMNASMN1; SMN2ESRRBESRRGCACNA1I
SCHEMBL3035287 0.72 ESRRB (0.49) LMNASMN1; SMN2ESRRBESRRGCACNA1I
SCHEMBL3576786 0.71 P2RX7 (0.50) LMNAPOLBEPHX2NR1H4
SCHEMBL3273904 0.70 LMNA (0.70) LMNASMN1; SMN2ESRRBESRRGCA12
SCHEMBL1063550 0.69 SMN1; SMN2 (0.52) LMNASMN1; SMN2CA1CA2
Hydrochloric Acid SCHEMBL4026084 0.69 LMNA (0.68) LMNASMN1; SMN2ESRRBESRRGCA12
SCHEMBL3202382 0.69 LMNA (0.53) LMNASMN1; SMN2
SCHEMBL1063236 0.68 F2 (0.47) LMNASMN1; SMN2ESRRBESRRG

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-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
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
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-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

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 LMNA 1410/4885SMN1; SMN2 2344/4885ESRRB 4846/4885
US-20090275550-A1 Pyridyl Amide T-Type Calcium Channel Antagonists CACNA1G, CACNA1H, CACNA1I LMNA 1410/4885SMN1; SMN2 2344/4885ESRRB 4846/4885

“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.