SCHEMBL7529036

SCHEMBL7529036

CC1=C(C(=O)OCCC(c2ccccc2)c2ccccc2)C(c2cccc(Cl)c2)C(C(=O)OCCC#N)=C(COCCN2CCOCC2)N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 11/20 0.57
ADRA1A P35348 3/20 0.39
ABCB1 P08183 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1B P35368 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
CHRM5 P08912 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL7532861 0.94 CACNA1B (0.59) CACNA1BADRA1A
SCHEMBL7527147 0.93 CACNA1B (0.58) CACNA1BHRH3
SCHEMBL7528099 0.93 CACNA1B (0.58) CACNA1BHRH3
SCHEMBL7530511 0.92 CACNA1B (0.66) CACNA1BADRA1AABCB1ADRA2AADORA3
SCHEMBL7529103 0.92 CACNA1B (0.66) CACNA1B
SCHEMBL7532382 0.91 CACNA1B (0.59) CACNA1BADRA1AABCB1ADRA2AADORA3
SCHEMBL7525504 0.89 CACNA1B (0.58) CACNA1BTP53
SCHEMBL7530789 0.87 CACNA1B (0.65) CACNA1BADRA1AABCB1ADRA2AADORA3
SCHEMBL7534438 0.87 CACNA1B (0.65) CACNA1BADRA1AABCB1ADRA2AADORA3
SCHEMBL7527493 0.87 CACNA1B (0.65) CACNA1BADRA1AABCB1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020147222-A1 Dihydropyridine derivatives AJINOMOTO CO. INC (JP) 2002-10-10 US disclosed
EP-1191021-A1 DIHYDROPYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-03-27 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-20020147222-A1 Dihydropyridine derivatives CACNA1B, CACNA1D, CACNA1C CACNA1B 1/4885ADRA1A 484/4885ABCB1 612/4885

“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.