SCHEMBL6950267

SCHEMBL6950267

COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1ccccc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.58
CYP3A4 P08684 4/20 0.58
CYP2C9 P11712 4/20 0.58
CYP2C19 P33261 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
LMNA P02545 2/20 0.58
CYP2D6 P10635 2/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
THPO P40225 1/20 0.58
MAPT P10636 1/20 0.58
CACNA1C Q13936 5/20 0.49
CACNA1F O60840 3/20 0.49
CACNA1D Q01668 3/20 0.49
CACNA1S Q13698 3/20 0.49
ACHE P22303 1/20 0.49
ALOX15 P16050 2/20 0.48
MLNR O43193 1/20 0.48
NR1I2 O75469 1/20 0.48

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
SCHEMBL6947901 0.91 CYP2C9 (0.59) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL6948648 0.88 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL6950016 0.87 ALOX15 (0.50) MAPTCACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL11110139 0.87 NR3C2 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL10695488 0.87 CACNA1C (0.61) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL6951645 0.87 MEN1 (0.56) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL23686116 0.85 KMT2A (0.70) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL6953226 0.84 CACNA1C (0.57) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL6947811 0.84 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL8790137 0.83 TBXA2R (0.49) CYP1A2CYP3A4CYP2C9CYP2C19MEN1

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 CYP1A2 277/4885CYP3A4 51/4885CYP2C9 783/4885

“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.