SCHEMBL5855159

SCHEMBL5855159

CC1=C(C(=O)O)C(c2ccccc2[N+](=O)[O-])C(C(=O)OCC=Cc2ccccc2)=C(C)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 18/20 1.00
ADORA3 P0DMS8 4/20 0.60
CACNA1C Q13936 3/20 0.60
KMT2A Q03164 2/20 0.60
ABCC4 O15439 2/20 0.60
CACNA1F O60840 2/20 0.60
ABCB11 O95342 2/20 0.60
LMNA P02545 2/20 0.60
CYP1A2 P05177 2/20 0.60
ADORA2A P29274 2/20 0.60
ADORA1 P30542 2/20 0.60
OPRM1 P35372 2/20 0.60
SCN1A P35498 2/20 0.60
HTR2B P41595 2/20 0.60
CACNA1D Q01668 2/20 0.60
KCNH2 Q12809 2/20 0.60
CACNA1S Q13698 2/20 0.60
SCN5A Q14524 2/20 0.60
SCN2A Q99250 2/20 0.60
SCN3A Q9NY46 2/20 0.60

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
SCHEMBL5855155 1.00 CACNA1B (1.00) CACNA1BADORA3CACNA1CKMT2AABCC4
SCHEMBL5855163 1.00 CACNA1B (1.00) CACNA1BADORA3CACNA1CKMT2AABCC4
SCHEMBL10719905 0.93 CACNA1B (0.87) CACNA1BADORA3CACNA1CKMT2AABCC4
SCHEMBL10719900 0.93 CACNA1B (0.87) CACNA1BADORA3CACNA1CKMT2AABCC4
SCHEMBL22746498 0.92 CACNA1B (0.84) CACNA1BADORA3CACNA1CKMT2AABCC4
SCHEMBL27014861 0.90 CACNA1B (0.81) CACNA1BADORA3CACNA1CKMT2AABCC4
SCHEMBL5854797 0.89 CACNA1B (0.80) CACNA1BADORA3CACNA1CKMT2AABCC4
SCHEMBL5854804 0.89 CACNA1B (0.80) CACNA1BADORA3CACNA1CKMT2AABCC4
SCHEMBL5855162 0.86 CACNA1B (0.79) CACNA1B
SCHEMBL5855158 0.86 CACNA1B (0.79) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6995179-B2 Dihydropyridine derivative AJINOMOTO CO., INC. (JP) 2006-02-07 US disclosed
US-20020111494-A1 Novel dihydropyridine derivative AJINOMOTO CO., INC. (JP) 2002-08-15 US disclosed
US-6350766-B1 PAIN, CNS AJINOMOTO CO., INC. (JP) 2002-02-26 US disclosed
EP-0985667-A1 NOVEL DIHYDROPYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2000-03-15 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-20020111494-A1 Novel dihydropyridine derivative CACNA1B, CACNA1D, CACNA1S CACNA1B 1/4885ADORA3 1224/4885CACNA1C 4/4885

“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.