SCHEMBL6929235

SCHEMBL6929235

COCC1=C(C(=O)OCCC#N)C(c2cccc(Cl)c2)C(C(=O)NCCC(c2ccccc2)c2ccccc2)=C(COCCN)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 11/20 0.49
ADRA1A P35348 3/20 0.40
HTR1A P08908 2/20 0.40
ADRA2A P08913 2/20 0.40
CHRM1 P11229 2/20 0.40
DRD1 P21728 2/20 0.40
TBXA2R P21731 2/20 0.40
SLC6A2 P23975 2/20 0.40
OPRM1 P35372 2/20 0.40
DRD3 P35462 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KCNH2 Q12809 2/20 0.40
KCNK2 O95069 1/20 0.40
ABCB11 O95342 1/20 0.40
ADRB2 P07550 1/20 0.40
ABCB1 P08183 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADRB3 P13945 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2C P18825 1/20 0.40

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
SCHEMBL6929379 0.94 CACNA1B (0.49) CACNA1BADRA1ACACNA1CMEN1KMT2A
SCHEMBL6929598 0.91 CACNA1B (0.49) CACNA1BADRA1AHTR1AADRA2ACHRM1
SCHEMBL6929475 0.88 CACNA1B (0.52) CACNA1BADRA1AHTR1AADRA2ACHRM1
SCHEMBL6931206 0.88 CACNA1B (0.56) CACNA1BADRA1ACACNA1C
SCHEMBL6925293 0.87 CACNA1B (0.54) CACNA1BADRA1ACACNA1CMEN1KMT2A
SCHEMBL14500659 0.85 CACNA1B (0.47) CACNA1BADRA1AHTR1AADRA2ACHRM1
SCHEMBL6926136 0.85 CACNA1B (0.52) CACNA1BADRA1ACACNA1C
SCHEMBL6931100 0.85 CACNA1B (0.49) CACNA1BADRA1AHTR1AADRA2ACHRM1
SCHEMBL6931083 0.85 CACNA1B (0.56) CACNA1BADRA1AHTR1AADRA2ACHRM1
SCHEMBL4496949 0.84 CACNA1B (0.67) CACNA1BADRA1ACACNA1C

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 1/4885ADRA1A 390/4885HTR1A 677/4885

“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.