SCHEMBL4496949

SCHEMBL4496949

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

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 13/20 0.67
ADRA1A P35348 1/20 0.46
CACNA1F O60840 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45

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
SCHEMBL4502898 0.91 CACNA1B (0.81) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6931206 0.90 CACNA1B (0.56) CACNA1BADRA1ACACNA1FCACNA1DCACNA1S
SCHEMBL7530092 0.89 CACNA1B (0.72) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6925293 0.88 CACNA1B (0.54) CACNA1BADRA1ACACNA1FCACNA1DCACNA1S
SCHEMBL7667045 0.88 CACNA1B (0.54) CACNA1BADRA1ACACNA1FCACNA1DCACNA1S
SCHEMBL7531011 0.88 CACNA1B (0.71) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7663100 0.88 CACNA1B (0.54) CACNA1BADRA1ACACNA1FCACNA1DCACNA1S
SCHEMBL7525951 0.87 CACNA1B (0.70) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7532827 0.87 CACNA1B (0.69) CACNA1BCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7669146 0.87 CACNA1B (0.58) CACNA1BADRA1ACACNA1FCACNA1DCACNA1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7494989-B2 Pyridine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2009-02-24 US disclosed
US-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2008-03-20 US disclosed
US-7288544-B2 Pyrimidine compounds useful as N-type calcium channel antagonists AJINOMOTO CO., INC. (JP) 2007-10-30 US disclosed
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives AJINOMOTO CO., INC. (JP) 2004-01-15 US disclosed
EP-1318147-A1 NOVEL PYRIMIDINE DERIVATIVE AND NOVEL PYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2003-06-11 EP disclosed
US-6350762-B1 SELECTIVELY INHIBIT THE ACTION OF N-TYPE CALCIUM CHANNEL; AJINOMOTO CO., INC. (JP) 2002-02-26 US disclosed
EP-1043314-A1 NOVEL DIHYDROPYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2000-10-11 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 (2 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-20080070903-A1 NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES P2RY10, CACNA1B, CACNA1E CACNA1B 2/4885ADRA1A 493/4885CACNA1F 30/4885
US-20040009991-A1 Pyrimidine derivatives and new pyridine derivatives CACNA1I, CACNA1B, CACNA1E CACNA1B 2/4885ADRA1A 374/4885CACNA1F 9/4885

“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.