SCHEMBL6338019

SCHEMBL6338019

CC1=C(C(=O)OCc2ccccc2)C(c2cccc(Cl)c2)N(C(=O)NCCc2ccncc2)C(=O)N1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 11/20 0.55
ADRA1A P35348 11/20 0.55
ADRA1B P35368 11/20 0.55
PDE1C Q14123 1/20 0.50
CACNA1F O60840 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNA1S Q13698 1/20 0.47
CACNA1C Q13936 1/20 0.47
GPBAR1 Q8TDU6 2/20 0.44
CACNA1B Q00975 2/20 0.44
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL6340251 0.92 ADRA1D (0.54) ADRA1DADRA1AADRA1BPDE1CCACNA1F
SCHEMBL6337709 0.91 ADRA1D (0.60) ADRA1DADRA1AADRA1BPDE1CCACNA1F
SCHEMBL6347834 0.91 ADRA1D (0.60) ADRA1DADRA1AADRA1BPDE1CCACNA1F
SCHEMBL6338169 0.90 ADRA1D (0.56) ADRA1DADRA1AADRA1BPDE1CCACNA1F
SCHEMBL6340733 0.88 ADRA1D (0.51) ADRA1DADRA1AADRA1BCACNA1FCACNA1D
SCHEMBL6336410 0.86 PDE1C (0.57) ADRA1DADRA1AADRA1BPDE1CCACNA1F
SCHEMBL6339673 0.85 ADRA1D (0.56) ADRA1DADRA1AADRA1BPDE1CCACNA1F
SCHEMBL6337609 0.85 ADRA1D (0.56) ADRA1DADRA1AADRA1BPDE1CCACNA1F
SCHEMBL6341555 0.82 CACNA1B (0.54) ADRA1DADRA1AADRA1BPDE1CCACNA1F
SCHEMBL6341553 0.82 CACNA1B (0.54) ADRA1DADRA1AADRA1BPDE1CCACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855716-B2 Dihydropyrimidine compounds and compositions containing the same AJINOMOTO CO., INC. (JP) 2005-02-15 US disclosed
US-20020143023-A1 Dihydropyrimidine compounds and compositions containing the same AJINOMOTO CO. INC (JP) 2002-10-03 US disclosed
EP-1193259-A1 DIHYDROPYRIMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2002-04-03 EP 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-20020143023-A1 Dihydropyrimidine compounds and compositions containing the same CACNA1B, CACNA1D, CACNA1G ADRA1D 1250/4885ADRA1A 1601/4885ADRA1B 1962/4885

“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.