SCHEMBL6925906

SCHEMBL6925906

CC1=C(C#N)C(c2cccc(Cl)c2)C(C(=O)NCCC(c2ccccc2)c2ccccc2)=C(COCCCl)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 7/20 0.46
CASR P41180 1/20 0.38
ALOX5 P09917 3/20 0.38
EPHX2 P34913 3/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
MAPT P10636 1/20 0.34
ALPG P10696 1/20 0.34
ALOX12 P18054 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
SCHEMBL6930161 0.94 CACNA1B (0.46) CACNA1BCASRALOX5EPHX2MEN1
SCHEMBL4510068 0.89 CACNA1B (0.59) CACNA1BCASR
SCHEMBL6929484 0.88 CACNA1B (0.56) CACNA1BADRA2AADRA2BADRA2CADRA1D
SCHEMBL6931206 0.87 CACNA1B (0.56) CACNA1BADRA1A
SCHEMBL6931094 0.84 CACNA1B (0.44) CACNA1B
SCHEMBL6931100 0.83 CACNA1B (0.49) CACNA1BCASRMEN1KMT2AADRA2A
SCHEMBL4502482 0.83 CACNA1B (0.59) CACNA1BADRA2AADRA2CADRA1DADRA1A
SCHEMBL6929379 0.82 CACNA1B (0.49) CACNA1BCASRALOX5EPHX2MEN1
SCHEMBL6931083 0.81 CACNA1B (0.56) CACNA1BADRA2AADRA2BADRA2CADRA1D
SCHEMBL6931116 0.81 CACNA1B (0.58) CACNA1BCASR

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 1/4885CASR 208/4885ALOX5 2681/4885

“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.