SCHEMBL7015367

SCHEMBL7015367

O=C(O)CCCCC(=O)N1CCC2(CC1)CCN(c1ccncc1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 1.00
ITGA2B P08514 15/20 1.00
CYP2C9 P11712 3/20 0.64
CYP3A4 P08684 2/20 0.64
TSHR P16473 2/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C19 P33261 1/20 0.57
HIF1A Q16665 1/20 0.57

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
SCHEMBL7012192 0.99 ITGB3 (1.00) ITGB3ITGA2BCYP2C9CYP3A4TSHR
SCHEMBL7015828 0.99 ITGB3 (1.00) ITGB3ITGA2BCYP2C9CYP3A4TSHR
SCHEMBL7018518 0.97 ITGB3 (1.00) ITGB3ITGA2BCYP2C9CYP3A4TSHR
SCHEMBL7014133 0.93 ITGB3 (0.98) ITGB3ITGA2B
SCHEMBL7007400 0.91 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7008430 0.91 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7014537 0.83 ITGB3 (0.74) ITGB3ITGA2BCYP2C9CYP3A4TSHR
SCHEMBL7790343 0.81 ITGB3 (0.69) ITGB3ITGA2BCYP2C9CYP3A4TSHR
SCHEMBL641121 0.81 CYP2C9 (0.75) ITGB3ITGA2BCYP2C9CYP3A4TSHR
SCHEMBL7368202 0.79 ITGB3 (0.67) ITGB3ITGA2BCYP2C9CYP3A4

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
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
EP-1224186-A2 PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION COR THERAPEUTICS, INC. (US) 2002-07-24 EP disclosed
WO-2001030780-A2 PYRIDYL-CONTAINING SPIROCYCLIC COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION COR THERAPEUTICS, INC. (US) 2001-05-03 WO 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 90/4885CYP2C9 1609/4885

“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.