SCHEMBL3085485

SCHEMBL3085485

C[C@@H](NC(=O)Cc1ccc2ccn(C)c2c1)c1ccc(OCC(F)(F)F)cn1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 8/20 0.66
CACNA1I Q9P0X4 4/20 0.66
CACNA1G O43497 2/20 0.66
CNR2 P34972 1/20 0.66
KCNH2 Q12809 1/20 0.66
CHRNA7 P36544 1/20 0.40
IDH1 O75874 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
KMT2A Q03164 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
CSF1R P07333 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
SYK P43405 1/20 0.36
MARK3 P27448 1/20 0.36

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
SCHEMBL3105539 0.84 CACNA1I (0.56) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL2134063 0.81 CACNA1I (0.52) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL21593159 0.81 CACNA1I (0.52) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL2134057 0.81 CACNA1I (0.52) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL3096368 0.81 CACNA1I (0.67) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL3097144 0.81 CACNA1I (0.67) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL1060457 0.80 CACNA1I (0.82) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL2138538 0.80 CACNA1I (0.53) CACNA1HCACNA1ICACNA1GCNR2KCNH2
SCHEMBL2138534 0.80 CACNA1I (0.53) CACNA1HCACNA1ICACNA1GCNR2KCNH2
Suvecaltamide SCHEMBL21828396 0.80 CACNA1I (1.00) CACNA1HCACNA1ICACNA1GCNR2KCNH2

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-20100249176-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS BARROW JAMES C 2010-09-30 US claimed
US-20100249176-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS BARROW JAMES C 2010-09-30 US disclosed
US-20100249176-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS BARROW JAMES C 2010-09-30 US disclosed
US-20100249176-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS BARROW JAMES C 2010-09-30 US disclosed
WO-2009054983-A1 HETEROCYCLE 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-20100249176-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS CACNA1G, CACNA1H, CACNA1I CACNA1H 2/4885CACNA1I 3/4885CACNA1G 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.