SCHEMBL7149518

SCHEMBL7149518

CCOC(=O)CN1CCN(C(=O)N2CCC3(CC2)CCN(c2ccncc2)C3)CC1=O

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.67
ITGA2B P08514 15/20 0.67
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL7013890 0.94 ITGB3 (0.76) ITGB3ITGA2BCYP3A4HIF1ACYP2D6
SCHEMBL7120821 0.91 ITGB3 (0.68) ITGB3ITGA2BCYP3A4ALDH1A1CYP2C19
SCHEMBL7015728 0.86 ITGB3 (0.88) ITGB3ITGA2B
SCHEMBL7017910 0.85 ITGB3 (0.77) ITGB3ITGA2BCYP3A4HIF1ACYP2D6
SCHEMBL7009478 0.81 ITGB3 (0.89) ITGB3ITGA2B
SCHEMBL7010015 0.81 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7118287 0.80 ITGB3 (0.74) ITGB3ITGA2BCYP3A4ALDH1A1CYP2C19
SCHEMBL7014144 0.78 ITGB3 (0.78) ITGB3ITGA2BCYP3A4ALDH1A1CYP2C19
SCHEMBL7014999 0.77 ITGB3 (0.77) ITGB3ITGA2BCYP3A4ALDH1A1CYP2C19
SCHEMBL7010717 0.76 ITGB3 (0.58) ITGB3ITGA2BCYP3A4ALDH1A1CYP2C19

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.