SCHEMBL2909249

SCHEMBL2909249

C[C@@H](NC(=O)Cc1ccc(-c2cncc3ccccc23)cc1)c1ccc(OCC(F)(F)F)cn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 4/20 0.65
CACNA1G O43497 2/20 0.65
CACNA1H O95180 2/20 0.65
CNR2 P34972 1/20 0.65
KCNH2 Q12809 1/20 0.65
CYP17A1 P05093 1/20 0.41
WNT1 P04628 1/20 0.40
DYRK1A Q13627 1/20 0.40
KMT2A Q03164 1/20 0.39
GPR139 Q6DWJ6 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CCNC P24863 4/20 0.37
CDK8 P49336 4/20 0.37
NTSR1 P30989 2/20 0.37
FLT3 P36888 1/20 0.37
MYLK Q15746 1/20 0.37
AURKB Q96GD4 1/20 0.37
CILK1 Q9UPZ9 1/20 0.37

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
SCHEMBL3049954 0.85 CACNA1I (0.63) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL8053653 0.85 CACNA1I (0.63) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL1062749 0.83 CNR2 (0.80) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL1063200 0.82 CACNA1I (0.75) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL3056748 0.81 CACNA1I (0.63) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL1062766 0.81 CACNA1I (0.71) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL3053600 0.81 CACNA1I (0.68) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL1060457 0.80 CACNA1I (0.82) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL1063551 0.80 CACNA1I (0.71) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL1059302 0.80 CACNA1I (0.71) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.