SCHEMBL6929388

SCHEMBL6929388

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.49
PDE1C Q14123 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
KMT2A Q03164 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.41

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
SCHEMBL6931094 0.89 CACNA1B (0.44) CACNA1B
SCHEMBL4514305 0.88 CACNA1B (0.53) CACNA1BPDE1C
SCHEMBL6931374 0.86 CACNA1B (0.56) CACNA1BPDE1CMAPTMEN1KMT2A
SCHEMBL6932426 0.83 CACNA1B (0.47) CACNA1BPDE1C
SCHEMBL6930275 0.82 CACNA1B (0.51) CACNA1BPDE1CMAPTMEN1KMT2A
SCHEMBL6931087 0.81 CACNA1B (0.53) CACNA1BPDE1C
SCHEMBL6925906 0.81 CACNA1B (0.46) CACNA1BALDH1A1MAPTMEN1KMT2A
SCHEMBL4489450 0.79 CACNA1B (0.55) CACNA1B
SCHEMBL7527493 0.78 CACNA1B (0.65) CACNA1B
SCHEMBL6929233 0.77 CACNA1B (0.49) CACNA1BPDE1C

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-6610717-B2 Selectively inhibits action of N-type calcium channel; treatment of ischemic cerebrovascular disorders caused by cerebral infarction or intracerebral bleeding, Alzheimer's disease, AIDS related dementia, Parkinson's disease AJINOMOTO CO., INC. (JP) 2003-08-26 US disclosed
US-20020193605-A1 New dihydropyridine derivatives AJINOMOTO CO. INC (JP) 2002-12-19 US disclosed
EP-1191022-A1 NOVEL 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-20020193605-A1 New dihydropyridine derivatives CACNA1B, CACNA1D, CACNA1C CACNA1B 1/4885PDE1C 198/4885ALDH1A1 1372/4885

“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.