SCHEMBL5567442

SCHEMBL5567442

COc1cccc(OCC(=O)N(C)CCCN2C(=O)NC(C)=C(C(=O)O)C2c2cccc(Cl)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
CACNA1D Q01668 2/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
SETDB1 Q15047 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
CACNA1B Q00975 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5569515 0.94 CACNA1F (0.40) SMN1; SMN2CACNA1DCACNA1FCACNA1SCACNA1C
SCHEMBL5568168 0.92 KDM4E (0.39) SMN1; SMN2CACNA1DCACNA1FCACNA1SCACNA1C
SCHEMBL5567821 0.90 CACNA1B (0.40) CACNA1DCACNA1FCACNA1SCACNA1CSETDB1
SCHEMBL5563888 0.89 CACNA1F (0.38) CACNA1DCACNA1FCACNA1SCACNA1CSETDB1
SCHEMBL5564467 0.88 CACNA1B (0.38) CACNA1DCACNA1FCACNA1SCACNA1CSETDB1
SCHEMBL5567878 0.85 CACNA1B (0.39) CACNA1DCACNA1FCACNA1SCACNA1CSETDB1
SCHEMBL5564896 0.85 MAPT (0.41) SMN1; SMN2CACNA1DCACNA1FCACNA1SCACNA1C
SCHEMBL5567440 0.83 ADRA1D (0.41) SMN1; SMN2MAPTHTTADRA1DADRA1A
SCHEMBL5563112 0.82 CACNA1F (0.40) CACNA1DCACNA1FCACNA1SCACNA1CSETDB1
SCHEMBL5568429 0.82 CACNA1H (0.46) CACNA1DCACNA1FCACNA1SCACNA1CMAPT

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
US-20050043339-A1 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB COMPANY 2005-02-24 US claimed
US-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-20050043339-A1 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB COMPANY 2005-02-24 US disclosed
WO-2005009392-A2 DIHYDROPYRIMIDONE INHIBITORS OF CALCIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-03 WO 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-20050043339-A1 Dihydropyrimidone inhibitors of calcium channel function CACNA1E, CACNA1C, CACNA1S SMN1; SMN2 3392/4885CACNA1D 4/4885CACNA1F 6/4885

“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.