SCHEMBL3036757

SCHEMBL3036757

CC(C)c1ccc(CC(=O)NC(C)c2cnc(OCC(F)(F)F)cn2)cc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 7/20 0.76
CACNA1H O95180 7/20 0.76
CACNA1G O43497 5/20 0.76
CNR2 P34972 3/20 0.76
KCNH2 Q12809 1/20 0.76
HTT P42858 1/20 0.45
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL3041292 1.00 CACNA1I (0.76) CACNA1ICACNA1HCACNA1GCNR2KCNH2
SCHEMBL23328328 0.88 CACNA1I (0.62) CACNA1ICACNA1HCACNA1GCNR2KCNH2
Suvecaltamide SCHEMBL1065999 0.86 CACNA1I (1.00) CACNA1ICACNA1HCACNA1GCNR2KCNH2
Suvecaltamide SCHEMBL21828396 0.86 CACNA1I (1.00) CACNA1ICACNA1HCACNA1GCNR2KCNH2
Suvecaltamide SCHEMBL29791943 0.86 CACNA1I (1.00) CACNA1ICACNA1HCACNA1GCNR2KCNH2
SCHEMBL12999615 0.81 CACNA1I (0.52) CACNA1ICACNA1HCACNA1GCNR2KCNH2
SCHEMBL2140640 0.80 CACNA1I (0.52) CACNA1ICACNA1HCACNA1GCNR2KCNH2
SCHEMBL2140629 0.80 CACNA1I (0.52) CACNA1ICACNA1HCACNA1GCNR2KCNH2
SCHEMBL3030405 0.79 CACNA1H (0.60) CACNA1ICACNA1HCACNA1GCNR2KCNH2
SCHEMBL3037471 0.79 CACNA1H (0.60) CACNA1ICACNA1HCACNA1GCNR2KCNH2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216816-A1 PYRAZINYL AMIDE-T TYPE CALCIUM CHANNEL ANTAGONISTS BARROW JAMES C 2010-08-26 US claimed
EP-2211864-A1 PYRAZINYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2010-08-04 EP claimed
WO-2009054982-A1 PYRAZINYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2009-04-30 WO claimed
US-20100216816-A1 PYRAZINYL AMIDE-T TYPE CALCIUM CHANNEL ANTAGONISTS BARROW JAMES C 2010-08-26 US disclosed
US-20100216816-A1 PYRAZINYL AMIDE-T TYPE CALCIUM CHANNEL ANTAGONISTS BARROW JAMES C 2010-08-26 US disclosed
US-20100216816-A1 PYRAZINYL AMIDE-T TYPE CALCIUM CHANNEL ANTAGONISTS BARROW JAMES C 2010-08-26 US disclosed
EP-2211864-A1 PYRAZINYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2010-08-04 EP disclosed
WO-2009054982-A1 PYRAZINYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2009-04-30 WO disclosed
WO-2009054982-A1 PYRAZINYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2009-04-30 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 (1 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-20100216816-A1 PYRAZINYL AMIDE-T TYPE CALCIUM CHANNEL ANTAGONISTS CACNA1G, CACNA1H, CACNA1I CACNA1I 3/4885CACNA1H 2/4885CACNA1G 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.