SCHEMBL23686191

SCHEMBL23686191

COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.67
CACNA1F O60840 4/20 0.66
CACNA1D Q01668 4/20 0.66
CACNA1S Q13698 4/20 0.66
CACNA1C Q13936 4/20 0.66
CYP3A4 P08684 3/20 0.61
CYP2C9 P11712 3/20 0.61
CYP2C19 P33261 3/20 0.61
LMNA P02545 3/20 0.61
TSHR P16473 3/20 0.61
MEN1 O00255 2/20 0.61
CYP1A2 P05177 2/20 0.61
KMT2A Q03164 2/20 0.61
CYP2D6 P10635 1/20 0.61
NFKB1 P19838 1/20 0.61
THPO P40225 1/20 0.61
MAPT P10636 1/20 0.61
POLB P06746 1/20 0.58
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52

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
SCHEMBL10747448 0.91 ABCC1 (0.67) ABCC1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL23686117 0.90 LMNA (0.64) ABCC1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL23686104 0.88 KDM4E (0.69) ABCC1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL23686115 0.88 CACNA1F (0.66) ABCC1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL23686116 0.88 KMT2A (0.70) CACNA1FCACNA1DCACNA1SCACNA1CCYP3A4
SCHEMBL9217355 0.86 HPGD (0.66) ABCC1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL23668762 0.86 LMNA (0.59) ABCC1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6946916 0.85 CYP2C9 (0.56) ABCC1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL21001936 0.85 LMNA (0.58) ABCC1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL23686216 0.84 MEN1 (0.78) CACNA1FCACNA1DCACNA1SCACNA1CCYP3A4

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-20210230117-A1 DIHYDROPYRIDINES FOR THE TREATMENT OF COGNITIVE IMPAIRMENT OR TRAUMATIC BRAIN INJURY THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2021-07-29 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-20210230117-A1 DIHYDROPYRIDINES FOR THE TREATMENT OF COGNITIVE IMPAIRMENT OR TRAUMATIC BRAIN INJURY GAP43, SYNJ1, PSD ABCC1 2418/4885CACNA1F 272/4885CACNA1D 94/4885

“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.