SCHEMBL7586763

SCHEMBL7586763

CCOC(=O)C1=C(C)NC(C)=C(C#N)C1c1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 7/20 0.60
CACNA1F O60840 4/20 0.60
CACNA1D Q01668 4/20 0.60
CACNA1S Q13698 4/20 0.60
CYP2C9 P11712 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
ACHE P22303 1/20 0.52
ADORA3 P0DMS8 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
ELANE P08246 2/20 0.49

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
SCHEMBL15026402 0.92 CACNA1F (0.56) CACNA1CCACNA1FCACNA1DCACNA1SCYP2C9
SCHEMBL11819347 0.89 CACNA1F (0.72) CACNA1CCACNA1FCACNA1DCACNA1SCYP2C9
SCHEMBL7266695 0.86 CACNA1F (0.49) CACNA1CCACNA1FCACNA1DCACNA1SCYP2C9
SCHEMBL7275780 0.85 CACNA1F (0.67) CACNA1CCACNA1FCACNA1DCACNA1SCYP2C9
SCHEMBL9503033 0.85 CACNA1F (0.80) CACNA1CCACNA1FCACNA1DCACNA1SCYP2C9
SCHEMBL10861491 0.85 CACNA1F (0.67) CACNA1CCACNA1FCACNA1DCACNA1SCYP2C9
SCHEMBL6137184 0.85 CACNA1C (0.64) CACNA1CCACNA1FCACNA1DCACNA1SCYP2C9
SCHEMBL7586726 0.83 CACNA1C (0.60) CACNA1CCACNA1FCACNA1DCACNA1SCYP2C9
SCHEMBL11777820 0.82 CACNA1F (0.64) CACNA1CCACNA1FCACNA1DCACNA1SCYP2C9
SCHEMBL11780843 0.81 CACNA1F (0.63) CACNA1CCACNA1FCACNA1DCACNA1SCYP2C9

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-20020165240-A1 Method of treating proliferative diseases using Eg5 inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-11-07 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-20020165240-A1 Method of treating proliferative diseases using Eg5 inhibitors ARF5, PDS5A, GEMIN5 CACNA1C 4688/4885CACNA1F 4703/4885CACNA1D 4778/4885

“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.