SCHEMBL6563525

SCHEMBL6563525

COC(=O)C1=C(C(C)C)NC(C(C)C)=C(C(=O)OC)C1c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 3/20 0.60
CACNA1D Q01668 3/20 0.60
CACNA1S Q13698 3/20 0.60
CACNA1C Q13936 3/20 0.60
PTPN1 P18031 5/20 0.55
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TSHR P16473 3/20 0.46
HSD17B10 Q99714 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 1/20 0.43
GCGR P47871 1/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL8949694 0.86 CACNA1F (0.64) CACNA1FCACNA1DCACNA1SCACNA1CPTPN1
SCHEMBL2648819 0.85 CACNA1F (0.70) CACNA1FCACNA1DCACNA1SCACNA1CKMT2A
SCHEMBL2647704 0.85 CACNA1F (0.56) CACNA1FCACNA1DCACNA1SCACNA1CPTPN1
SCHEMBL9229958 0.84 CACNA1F (0.59) CACNA1FCACNA1DCACNA1SCACNA1CPTPN1
SCHEMBL2647640 0.83 CACNA1F (0.44) CACNA1FCACNA1DCACNA1SCACNA1CPTPN1
SCHEMBL8193038 0.83 CACNA1F (0.57) CACNA1FCACNA1DCACNA1SCACNA1CPTPN1
SCHEMBL9382997 0.82 KDM4E (0.48) CACNA1FCACNA1DCACNA1SCACNA1CPTPN1
SCHEMBL9803685 0.82 CACNA1F (0.56) CACNA1FCACNA1DCACNA1SCACNA1CPTPN1
SCHEMBL9744040 0.81 CACNA1F (0.45) CACNA1FCACNA1DCACNA1SCACNA1CPTPN1
SCHEMBL27310185 0.80 CACNA1F (0.52) CACNA1FCACNA1DCACNA1SCACNA1CPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1162197-B1 Process for the preparation of pyridines by oxidation of dihydropyridines using methyl nitrite BAYER CHEMICALS AG (DE) 2004-05-26 EP claimed
US-6392050-B2 REACTING 1,4-DIHYDROPYRIDINE WITH METHYL NITRITE IN PRESENCE OF ACID CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2002-05-21 US claimed
US-20020002285-A1 Process for preparing substituted pyridines BAYER AKTIENGESELLSCHAFT (DE) 2002-01-03 US claimed
US-6392050-B2 REACTING 1,4-DIHYDROPYRIDINE WITH METHYL NITRITE IN PRESENCE OF ACID CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2002-05-21 US disclosed
US-20020002285-A1 Process for preparing substituted pyridines BAYER AKTIENGESELLSCHAFT (DE) 2002-01-03 US disclosed
US-4950675-A ANTICHOLESTEROL AGENTS WARNER-LAMBERT COMPANY (US) 1990-08-21 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-20020002285-A1 Process for preparing substituted pyridines QDPR, NOX4, NOX5 CACNA1F 1140/4885CACNA1D 1278/4885CACNA1S 1525/4885

“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.