SCHEMBL20088398

SCHEMBL20088398

Cc1cc(C(F)(F)F)c2[nH]c(CN(C)C(=O)OC(C)(C)C)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 4/20 0.60
▸ CACNA1C Q13936 4/20 0.60
▸ CACNA1G O43497 2/20 0.60
▸ CACNA1H O95180 6/20 0.41
▸ HTR2C P28335 3/20 0.33
▸ SLC6A4 P31645 3/20 0.33
▸ CCNE2 O96020 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ DRD1 P21728 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ HTR2A P28223 1/20 0.30

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
SCHEMBL15850892 0.89 CACNA1B (0.72) CACNA1BCACNA1CCACNA1GCACNA1HHTR2C
SCHEMBL20088381 0.85 CACNA1H (0.42) CACNA1BCACNA1CCACNA1GCACNA1HDRD1
SCHEMBL20088399 0.84 CACNA1H (0.58) CACNA1BCACNA1CCACNA1GCACNA1HDRD1
SCHEMBL20088402 0.84 CACNA1H (0.44) CACNA1BCACNA1CCACNA1GCACNA1HDRD1
SCHEMBL20088400 0.83 CACNA1H (0.42) CACNA1BCACNA1CCACNA1GCACNA1HDRD1
SCHEMBL20088391 0.81 CACNA1H (0.36) CACNA1BCACNA1CCACNA1GCACNA1HCCNE1
SCHEMBL20088386 0.81 CACNA1H (0.61) CACNA1BCACNA1CCACNA1GCACNA1HDRD1
SCHEMBL20088401 0.77 NLRP3 (0.35) CACNA1BCACNA1CCACNA1GCACNA1HTDP1
SCHEMBL20088395 0.77 CACNA1H (0.38) CACNA1BCACNA1CCACNA1GCACNA1HTDP1
SCHEMBL16186538 0.76 CACNA1G (0.54) CACNA1BCACNA1CCACNA1G

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel DeGiacomo, Mark G. (US) 2018-04-26 — — US 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-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 CACNA1B 25/4885CACNA1C 49/4885CACNA1G 38/4885

“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.

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