SCHEMBL2908523

SCHEMBL2908523

C[C@@H](NC(=O)Cc1ccc(-c2nccnc2C2CC2)cc1)c1ccc(OCC(F)(F)F)cn1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 4/20 0.76
CACNA1G O43497 2/20 0.74
CACNA1H O95180 2/20 0.74
CNR2 P34972 4/20 0.65
KCNH2 Q12809 1/20 0.65
IDH1 O75874 2/20 0.38
KMT2A Q03164 1/20 0.37
ACACB O00763 3/20 0.35
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
ACACA Q13085 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SUCNR1 Q9BXA5 1/20 0.34

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
SCHEMBL8053828 0.87 CACNA1I (0.57) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2901146 0.87 CACNA1I (1.00) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL23327963 0.85 CACNA1I (1.00) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL8233861 0.85 CACNA1I (1.00) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL29363972 0.85 CACNA1I (1.00) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL1063200 0.82 CACNA1I (0.75) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL3053738 0.81 CACNA1I (0.74) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL1060457 0.80 CACNA1I (0.82) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL20328496 0.80 CACNA1I (0.86) CACNA1ICACNA1GCACNA1HCNR2KCNH2
Suvecaltamide SCHEMBL21828396 0.79 CACNA1I (1.00) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212291-B1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2014-06-04 EP claimed
US-8637513-B2 Heterocycle phenyl amide T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2014-01-28 US claimed
US-20100261724-A1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME LLC 2010-10-14 US claimed
EP-2212291-A1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2010-08-04 EP claimed
WO-2009054984-A1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2009-04-30 WO claimed
EP-2212291-B1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2014-06-04 EP disclosed
EP-2212291-B1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2014-06-04 EP disclosed
US-8637513-B2 Heterocycle phenyl amide T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2014-01-28 US disclosed
US-8637513-B2 Heterocycle phenyl amide T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2014-01-28 US disclosed
US-8637513-B2 Heterocycle phenyl amide T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2014-01-28 US disclosed
US-20100261724-A1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME LLC 2010-10-14 US disclosed
US-20100261724-A1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME LLC 2010-10-14 US disclosed
US-20100261724-A1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME LLC 2010-10-14 US disclosed
WO-2009054984-A1 HETEROCYCLE PHENYL 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-20100261724-A1 HETEROCYCLE PHENYL 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.