SCHEMBL2908538

SCHEMBL2908538

C[C@@H](NC(=O)Cc1ccc(OC2CCOC2)cc1)c1ccc(NCC(F)(F)F)cn1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 4/20 0.53
CACNA1G O43497 2/20 0.53
CACNA1H O95180 2/20 0.53
CNR2 P34972 1/20 0.49
KCNH2 Q12809 1/20 0.49
ACACB O00763 3/20 0.46
P2RX3 P56373 13/20 0.43
P2RX2 Q9UBL9 13/20 0.43

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
SCHEMBL3062134 0.87 CACNA1I (0.70) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL1057087 0.81 CACNA1I (0.71) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL3064509 0.80 CACNA1I (0.56) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL3058080 0.79 CACNA1I (0.55) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL1062015 0.79 CACNA1I (0.69) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2908420 0.75 CACNA1I (0.52) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL3042966 0.72 CACNA1I (0.49) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2138961 0.70 CACNA1I (0.55) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL2138971 0.70 CACNA1I (0.55) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL23327963 0.69 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 8 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-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-20100261724-A1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME LLC 2010-10-14 US disclosed
EP-2212291-A1 HETEROCYCLE PHENYL AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2010-08-04 EP 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.