SCHEMBL6945802

SCHEMBL6945802

COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(C(F)(F)F)c1F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 4/20 0.64
CACNA1F O60840 2/20 0.64
CACNA1D Q01668 2/20 0.64
CACNA1S Q13698 2/20 0.64
CYP2C9 P11712 6/20 0.54
CYP1A2 P05177 5/20 0.54
CYP3A4 P08684 5/20 0.54
CYP2C19 P33261 5/20 0.54
ADORA3 P0DMS8 4/20 0.54
MAPT P10636 4/20 0.54
TSHR P16473 3/20 0.54
NFKB1 P19838 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CYP2D6 P10635 2/20 0.54
KDM4E B2RXH2 2/20 0.53
HIF1A Q16665 2/20 0.53
HSD17B10 Q99714 2/20 0.53
NR1I2 O75469 2/20 0.53
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL6945806 0.97 CACNA1C (0.59) CACNA1CCACNA1FCACNA1DCACNA1SCYP2C9
SCHEMBL6949620 0.93 CACNA1C (0.55) CACNA1CCACNA1FCACNA1DCACNA1SCYP2C9
SCHEMBL6953226 0.90 CACNA1C (0.57) CACNA1CCACNA1FCACNA1DCACNA1SCYP2C9
SCHEMBL6953550 0.87 CACNA1F (0.50) CACNA1CCACNA1FCACNA1DCACNA1SMAPT
SCHEMBL11781966 0.84 CACNA1C (0.67) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL9173126 0.83 CACNA1C (0.75) CACNA1CCACNA1FCACNA1DCACNA1SCYP2C9
SCHEMBL10823933 0.83 CACNA1C (0.64) CACNA1CCACNA1FCACNA1DCACNA1SCYP2C9
SCHEMBL9177270 0.83 CACNA1C (0.74) CACNA1CCACNA1FCACNA1DCACNA1SCYP2C9
SCHEMBL7431449 0.81 CACNA1C (0.78) CACNA1CCACNA1FCACNA1DCACNA1SCYP2C9
SCHEMBL10823959 0.81 ADORA3 (0.71) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0657432-B1 Phenyl-substituted 1,4-dihydropyridines with cerebral activity BAYER AG (DE) 2003-03-12 EP claimed
US-6630494-B2 Treatment for central degenerative disorders, brain power disorders, depressions, and for prophylaxis of cerebral circulatory disorders BAYER AKTIENGESELLSCHAFT (DE) 2003-10-07 US disclosed
US-20010034451-A1 Phenyl-substituted 1,4-dihydropyridines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2001-10-25 US disclosed
US-6239155-B1 TREATMENT OF CENTRAL DEGENERATIVE DISORDERS, AS DEMENTIAS, ALZHEIMER'S DISEASE, PARKINSON'S DISEASE OR AMYOTROPHIC LATERAL SCLEROSIS, MEMORY IMPAIRMENT, DEPRESSIONS, MIGRAINE, OF NEUROPATHIES, METABOLIC DISORDERS SUCH AS DIABETES BAYER AKTIENGESELLSCHAFT (DE) 2001-05-29 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-20010034451-A1 Phenyl-substituted 1,4-dihydropyridines GRIK4, PKM, PDK4 CACNA1C 724/4885CACNA1F 658/4885CACNA1D 331/4885

“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.