SCHEMBL7014909

SCHEMBL7014909

O=C(O)COC1CCN(C(=O)N2CCC3(CC2)CCN(c2ccncc2)CC3)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 1.00
ITGA2B P08514 18/20 1.00
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
TSHR P16473 1/20 0.58

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
SCHEMBL7014105 0.96 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7013234 0.87 ITGB3 (0.77) ITGB3ITGA2BCYP3A4CYP2D6CYP2C9
SCHEMBL7016388 0.83 ITGB3 (0.77) ITGB3ITGA2BCYP3A4CYP2D6CYP2C9
SCHEMBL7008270 0.82 ITGB3 (0.78) ITGB3ITGA2BCYP3A4CYP2D6CYP2C9
SCHEMBL7014999 0.81 ITGB3 (0.77) ITGB3ITGA2BCYP3A4CYP2D6
SCHEMBL7016270 0.80 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7402217 0.80 ITGB3 (0.66) ITGB3ITGA2BCYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL9023636 0.78 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL7013014 0.77 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL641121 0.76 CYP2C9 (0.75) ITGB3ITGA2BCYP3A4CYP2D6CYP2C9

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 90/4885CYP3A4 1560/4885

“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.