SCHEMBL1065313

SCHEMBL1065313

C[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(CO)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
HPGD P15428 2/20 0.62
MAPT P10636 1/20 0.62
CACNA1I Q9P0X4 4/20 0.53
SLC22A12 Q96S37 1/20 0.53
KMT2A Q03164 4/20 0.51
CACNA1G O43497 2/20 0.50
CACNA1H O95180 2/20 0.50
CNR2 P34972 1/20 0.50
KCNH2 Q12809 1/20 0.50
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ECE1 P42892 1/20 0.47
MEN1 O00255 3/20 0.47
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL1064326 0.88 ALDH1A1 (0.62) ALDH1A1HPGDMAPTCACNA1ISLC22A12
SCHEMBL17451447 0.86 ALDH1A1 (0.57) ALDH1A1HPGDMAPTCACNA1ISLC22A12
SCHEMBL1064538 0.86 CACNA1I (0.72) ALDH1A1HPGDMAPTCACNA1ISLC22A12
SCHEMBL1062846 0.84 CACNA1I (0.60) ALDH1A1HPGDMAPTCACNA1ISLC22A12
SCHEMBL3034763 0.83 ALDH1A1 (0.62) ALDH1A1HPGDMAPTCACNA1IKMT2A
SCHEMBL1065407 0.83 CACNA1I (0.56) ALDH1A1HPGDMAPTCACNA1ISLC22A12
SCHEMBL1065161 0.82 CACNA1I (0.55) ALDH1A1HPGDMAPTCACNA1ISLC22A12
SCHEMBL1058790 0.82 CACNA1I (0.55) ALDH1A1HPGDMAPTCACNA1ISLC22A12
SCHEMBL1061577 0.81 ALDH1A1 (0.54) ALDH1A1HPGDMAPTCACNA1ISLC22A12
SCHEMBL1064346 0.81 CACNA1I (0.66) ALDH1A1HPGDMAPTCACNA1ISLC22A12

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 17 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-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
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 ALDH1A1 4093/4885HPGD 1187/4885MAPT 547/4885
US-20090275550-A1 Pyridyl Amide T-Type Calcium Channel Antagonists CACNA1G, CACNA1H, CACNA1I ALDH1A1 4093/4885HPGD 1187/4885MAPT 547/4885

“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.