SCHEMBL3030405

SCHEMBL3030405

CC(C)c1ccc(CC(=O)N[C@@H](C)c2cnc(Cl)cn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 5/20 0.60
CACNA1I Q9P0X4 4/20 0.60
CNR2 P34972 4/20 0.60
CACNA1G O43497 3/20 0.60
KCNH2 Q12809 1/20 0.60
HTT P42858 1/20 0.50
PANK3 Q9H999 1/20 0.49
SLC22A12 Q96S37 1/20 0.47
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
S1PR1 P21453 2/20 0.45
S1PR3 Q99500 2/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL3037471 1.00 CACNA1H (0.60) CACNA1HCACNA1ICNR2CACNA1GKCNH2
SCHEMBL3042543 0.87 CACNA1I (0.60) CACNA1HCACNA1ICNR2CACNA1GKCNH2
SCHEMBL1066005 0.82 CACNA1I (0.67) CACNA1HCACNA1ICNR2CACNA1GKCNH2
SCHEMBL17451429 0.82 CACNA1I (0.67) CACNA1HCACNA1ICNR2CACNA1GKCNH2
SCHEMBL1064504 0.81 CACNA1I (0.65) CACNA1HCACNA1ICNR2CACNA1GKCNH2
SCHEMBL1062854 0.80 CACNA1I (0.75) CACNA1HCACNA1ICNR2CACNA1GKCNH2
SCHEMBL3041292 0.79 CACNA1I (0.76) CACNA1HCACNA1ICNR2CACNA1GKCNH2
SCHEMBL3036757 0.79 CACNA1I (0.76) CACNA1HCACNA1ICNR2CACNA1GKCNH2
SCHEMBL1063192 0.78 CACNA1I (0.78) CACNA1HCACNA1ICNR2CACNA1GKCNH2
SCHEMBL4501672 0.77 CACNA1I (0.73) CACNA1HCACNA1ICNR2CACNA1GKCNH2

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
US-20100216816-A1 PYRAZINYL AMIDE-T TYPE CALCIUM CHANNEL ANTAGONISTS BARROW JAMES C 2010-08-26 US 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
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 CACNA1H 2/4885CACNA1I 3/4885CNR2 246/4885

“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.