SCHEMBL5634993

SCHEMBL5634993

CC(C)(C)c1ccc(C(c2ccccc2)N2CCC(CNC(=O)CC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.53
CACNA2D1 P54289 2/20 0.47
CACNA1B Q00975 2/20 0.47
CACNB1 Q02641 2/20 0.47
CACNA1C Q13936 2/20 0.47
BCHE P06276 1/20 0.43
CACNA1A O00555 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
TRPA1 O75762 1/20 0.42

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
SCHEMBL5634872 0.92 CACNA2D1 (0.54) KCNH2CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL5634382 0.92 CACNA2D1 (0.54) KCNH2CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL5634736 0.88 CACNA2D1 (0.56) KCNH2CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL5633709 0.86 CYP3A4 (0.51) CACNA2D1CACNA1BCACNB1CACNA1CBCHE
SCHEMBL5634371 0.82 CACNA2D1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1CBCHE
SCHEMBL5634401 0.78 CACNA2D1 (0.56) CACNA2D1CACNA1BCACNB1CACNA1CBCHE
SCHEMBL5633428 0.77 CACNA2D1 (0.55) CACNA2D1CACNA1BCACNB1CACNA1CBCHE
SCHEMBL8298777 0.74 CKS1B (0.51)
SCHEMBL5634490 0.72 CACNA2D1 (0.52) CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL27653824 0.72 LMNA (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244758-B2 N-type calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-07-17 US claimed
US-20050014748-A1 N-type calcium channel blockers NEUROMED TECHNOLOGIES INC. 2005-01-20 US claimed

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-20050014748-A1 N-type calcium channel blockers CACNA1B, CACNA1C, CACNA1I KCNH2 33/4885CACNA2D1 30/4885CACNA1B 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.