SCHEMBL7028544

SCHEMBL7028544

CC(C)(C)OC(=O)CN1CCc2cc(C(=O)NCc3ccc(C#N)cc3)ccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
TP53 P04637 1/20 0.47
DRD2 P14416 3/20 0.46
DRD3 P35462 2/20 0.46
PPARA Q07869 1/20 0.45
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 1/20 0.43
ITGB3 P05106 4/20 0.41
ITGA2B P08514 4/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
AOC3 Q16853 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 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
SCHEMBL4419892 0.82 ITGB3 (0.59) ITGB3ITGA2BAOC3HRH3
SCHEMBL7028538 0.82 ITGB3 (0.41) DRD2DRD3ITGB3ITGA2BAOC3
SCHEMBL4423740 0.75 ITGB3 (0.56) ITGB3ITGA2BAOC3HRH3
SCHEMBL20657110 0.74 ALDH1A1 (0.61) DRD2ITGB3ITGA2BMEN1ALDH1A1
SCHEMBL25362979 0.73 AOC3 (0.48) ITGB3ITGA2BAOC3
SCHEMBL30530638 0.73 AOC3 (0.48) ITGB3ITGA2BAOC3
SCHEMBL29677014 0.70 MAPK1 (0.46) DRD2DRD3ITGB3ITGA2BAOC3
SCHEMBL8379044 0.70 ROCK2 (0.45) ROCK2ROCK1
SCHEMBL7300982 0.70 KDM4E (0.55) DRD2DRD3ROCK2ITGB3ITGA2B
SCHEMBL8347050 0.70 ROCK2 (0.49) EPHX2TP53DRD2DRD3ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030135045-A1 Glycoprotein IIb/IIIa antagonists FISHER MATTHEW J (US) 2003-07-17 US disclosed
US-6472405-B1 Glycoprotein IIB/IIIA antagonists ELI LILLY AND COMPANY 2002-10-29 US disclosed
EP-0635492-B1 Glycoprotein IIb/IIIa antagonists LILLY CO ELI (US) 2002-10-02 EP disclosed
US-6137002-A USEFUL FOR PREVENTION OF THROMBOSIS; FOR TREATING ATHEROSCLEROSIS AND ARTERIOSCLEROSIS, ACUTE MYOCARDIAL INFARCTION, CHRONIC STABLE ANGINA, UNSTABLE ANGINA, TRANSIENT ISCHEMIC ATTACKS AND STROKES, PERIPHERAL VASCULAR DISEASE, ELI LILLY AND COMPANY (US) 2000-10-24 US disclosed
US-5618843-A INHIBIT PLATELET AGGREGATION ELI LILLY AND COMPANY (US) 1997-04-08 US disclosed
EP-0635492-A1 Glycoprotein IIb/IIIa antagonists ELI LILLY AND COMPANY (US) 1995-01-25 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-20030135045-A1 Glycoprotein IIb/IIIa antagonists GP6, TBXA2R, ITGA2B EPHX2 2213/4885TP53 832/4885DRD2 890/4885

“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.