Sugi Predict

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SCHEMBL1064385

SCHEMBL1064385

CC(C)(C)[S+]([O-])N[C@H](CCO)c1ccc(OCC(F)(F)F)cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CACNA1I Q9P0X4 3/20 0.42
▸ CACNA1G O43497 2/20 0.42
▸ CACNA1H O95180 2/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ IDH1 O75874 2/20 0.33
▸ CYP2C9 P11712 2/20 0.32
▸ CYP17A1 P05093 2/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ TRPV3 Q8NET8 2/20 0.31
▸ SCN9A Q15858 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1062849 0.91 CACNA1I (0.43) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL1062617 0.83 CACNA1I (0.39) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL1063142 0.82 CACNA1I (0.51) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL3946528 0.81 APLNR (0.34) CNR2KCNH2
SCHEMBL6902127 0.79 CACNA1I (0.41) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL18019236 0.79 CACNA1I (0.41) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL1065548 0.73 CACNA1I (0.45) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL1063508 0.73 CACNA1H (0.59) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL11901656 0.72 CACNA1I (0.42) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL11901645 0.72 CACNA1I (0.42) CACNA1ICACNA1GCACNA1HCNR2KCNH2

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 5 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 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 CACNA1I 3/4885CACNA1G 1/4885CACNA1H 2/4885
US-20090275550-A1 Pyridyl Amide T-Type Calcium Channel Antagonists CACNA1G, CACNA1H, CACNA1I CACNA1I 3/4885CACNA1G 1/4885CACNA1H 2/4885

“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.