SCHEMBL7013244

SCHEMBL7013244

CCOC(=O)CC(=O)N1CCC(C(=O)N2CCC3(CCN(c4ccncc4)CC3)C2)CC1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.75
ITGA2B P08514 16/20 0.75
CYP2D6 P10635 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
HIF1A Q16665 1/20 0.49

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
SCHEMBL7014088 0.94 ITGB3 (0.74) ITGB3ITGA2BCYP2D6CYP3A4CYP2C9
SCHEMBL7125419 0.86 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7118287 0.81 ITGB3 (0.74) ITGB3ITGA2BCYP2D6CYP3A4CYP2C9
SCHEMBL7017345 0.80 ITGB3 (0.76) ITGB3ITGA2BCYP3A4
SCHEMBL7117231 0.80 ITGB3 (1.00) ITGB3ITGA2BCYP2D6CYP3A4CYP2C9
SCHEMBL7012994 0.79 ITGB3 (0.77) ITGB3ITGA2BCYP3A4HIF1A
SCHEMBL7125384 0.79 ITGB3 (0.78) ITGB3ITGA2BCYP2D6CYP3A4HIF1A
SCHEMBL7016388 0.77 ITGB3 (0.77) ITGB3ITGA2BCYP2D6CYP3A4CYP2C9
SCHEMBL7012381 0.77 ITGB3 (0.73) ITGB3ITGA2BCYP2D6CYP3A4CYP2C9
SCHEMBL7010717 0.75 ITGB3 (0.58) ITGB3ITGA2BCYP2D6CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224186-B1 PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION MILLENNIUM PHARM INC (US) 2003-09-24 EP disclosed
US-20030055244-A1 Pyridyl-containing spirocyclic compounds as inhibitors of fibrinogen-dependent platelet aggregation MILLENNIUM PHARMACEUTICALS, INC. 2003-03-20 US 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-20030055244-A1 Pyridyl-containing spirocyclic compounds as inhibitors of fibrinogen-dependent platelet aggregation PF4, PFKP, FGB ITGB3 139/4885ITGA2B 90/4885CYP2D6 2733/4885

“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.