SCHEMBL5854845

SCHEMBL5854845

COc1ccc(/C=C/COC(=O)C2=C(C)NC(C)=C(C(=O)OCCC#N)C2c2cccc(Cl)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 10/20 0.68
MEN1 O00255 1/20 0.53
MLNR O43193 1/20 0.53
NR1I2 O75469 1/20 0.53
CACNA1H O95180 1/20 0.53
NR3C1 P04150 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
TBXA2R P21731 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
PDE4D Q08499 1/20 0.53
CACNA1C Q13936 1/20 0.53
SLC29A1 Q99808 1/20 0.53

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
SCHEMBL5854852 1.00 CACNA1B (0.68) CACNA1BMEN1MLNRNR1I2CACNA1H
SCHEMBL5857607 0.93 CACNA1B (0.67) CACNA1BMEN1MLNRNR1I2CACNA1H
SCHEMBL5857610 0.93 CACNA1B (0.67) CACNA1BMEN1MLNRNR1I2CACNA1H
SCHEMBL5857124 0.93 CACNA1B (0.78) CACNA1B
SCHEMBL5857127 0.93 CACNA1B (0.78) CACNA1B
SCHEMBL5856386 0.92 CACNA1B (0.78) CACNA1B
SCHEMBL5856389 0.92 CACNA1B (0.78) CACNA1B
SCHEMBL5855463 0.91 CACNA1B (0.70) CACNA1B
SCHEMBL5855466 0.91 CACNA1B (0.70) CACNA1B
SCHEMBL5854648 0.91 CACNA1B (0.79) CACNA1BMEN1MLNRNR1I2CACNA1H

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 1/4885MEN1 2700/4885MLNR 4188/4885

“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.