SCHEMBL7535698

SCHEMBL7535698

CC1=C(C(=O)OCCC(c2ccccc2)c2ccccc2)C(c2cccc(Cl)c2)C(C(=O)OCCC#N)=C(OCCC2CCN(C(=O)OCc3ccccc3)CC2)N1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.45
CHRM4 P08173 3/20 0.36
BCL9 O00512 3/20 0.36
CTNNB1 P35222 3/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MCL1 Q07820 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRIN2B Q13224 1/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL7526441 0.85 CACNA1B (0.54) CACNA1BCHRM4
SCHEMBL6932398 0.77 CACNA1B (0.42) CACNA1BGPBAR1SMN1; SMN2MEN1KMT2A
SCHEMBL4489454 0.75 CACNA1B (0.46) CACNA1BSMN1; SMN2
SCHEMBL7528367 0.73 CACNA1B (0.61) CACNA1B
SCHEMBL4502898 0.73 CACNA1B (0.81) CACNA1B
SCHEMBL7527934 0.73 CACNA1B (0.64) CACNA1B
SCHEMBL7528379 0.72 CACNA1B (0.69) CACNA1B
SCHEMBL5415124 0.71 CHRM4 (0.35) CACNA1BCHRM4BCL9CTNNB1SMN1; SMN2
SCHEMBL5405612 0.71 CHRM4 (0.35) CACNA1BCHRM4BCL9CTNNB1SMN1; SMN2
SCHEMBL7532861 0.71 CACNA1B (0.59) CACNA1B

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 1/4885CHRM4 1397/4885BCL9 2022/4885

“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.