SCHEMBL5568168

SCHEMBL5568168

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
SETDB1 Q15047 1/20 0.37
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CACNA1B Q00975 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
SCHEMBL5567878 0.94 CACNA1B (0.39) KDM4ECACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5567442 0.92 SMN1; SMN2 (0.38) KDM4ESMN1; SMN2CACNA1FCACNA1DCACNA1S
SCHEMBL5567353 0.89 CACNA1F (0.37) KDM4ESMN1; SMN2CACNA1FCACNA1DCACNA1S
SCHEMBL5569515 0.86 CACNA1F (0.40) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5567909 0.85 ACKR3 (0.42) CACNA1FCACNA1DCACNA1SCACNA1CHTT
SCHEMBL5568581 0.84 CACNA1F (0.36) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5568165 0.84 ADRA1D (0.40) SMN1; SMN2ALOX15ALDH1A1LMNAHSD17B10
SCHEMBL5564896 0.83 MAPT (0.41) SMN1; SMN2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5563353 0.83 HTT (0.40) KDM4ESMN1; SMN2CACNA1FCACNA1DCACNA1S
SCHEMBL5567824 0.83 HTT (0.39) KDM4ECACNA1FCACNA1DCACNA1SCACNA1C

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-7166603-B2 Dihydropyrimidone inhibitors of calcium channel function BRISTOL-MYERS SQUIBB CO. (US) 2007-01-23 US claimed
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

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 KDM4E 1519/4885SMN1; SMN2 3392/4885CACNA1F 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.