SCHEMBL7072135

SCHEMBL7072135

CCOC(=O)CC1CCc2ccc(OCCNC(=N)N)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
FFAR1 O14842 1/20 0.41
KDM4E B2RXH2 2/20 0.39
BRD4 O60885 1/20 0.39
F10 P00742 3/20 0.39
POLB P06746 1/20 0.39
ACHE P22303 2/20 0.39
NQO2 P16083 2/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
PPARD Q03181 1/20 0.38
ADRB3 P13945 1/20 0.38
PPARG P37231 1/20 0.37
NPY5R Q15761 1/20 0.37

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
SCHEMBL7075772 0.97 ITGB3 (0.44) ITGB3ITGA2BFFAR1KDM4EBRD4
SCHEMBL7073498 0.96 ITGB3 (0.49) ITGB3ITGA2BFFAR1KDM4EBRD4
SCHEMBL7071450 0.94 ITGB3 (0.44) ITGB3ITGA2BFFAR1KDM4EBRD4
SCHEMBL7075556 0.93 ITGB3 (0.48) ITGB3ITGA2BFFAR1KDM4EBRD4
SCHEMBL7073086 0.91 ITGB3 (0.48) ITGB3ITGA2BFFAR1KDM4EBRD4
Trifluoroacetic Acid SCHEMBL7075815 0.90 KDM4E (0.41) ITGB3ITGA2BFFAR1KDM4EBRD4
Trifluoroacetic Acid SCHEMBL7071517 0.89 ITGB3 (0.47) ITGB3ITGA2BFFAR1KDM4EBRD4
Trifluoroacetic Acid SCHEMBL7075689 0.87 KDM4E (0.42) ITGB3ITGA2BFFAR1KDM4EBRD4
Trifluoroacetic Acid SCHEMBL7075464 0.86 ITGB3 (0.42) ITGB3ITGA2BFFAR1KDM4EBRD4
SCHEMBL7071687 0.86 CA12 (0.47) FFAR1KDM4EBRD4POLBNQO2

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
US-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin WYETH (US) 2003-06-12 US disclosed
US-6429214-B1 INHIBITORS OF BONE RESORPTION WYETH 2002-08-06 US disclosed
EP-1198231-A1 BICYCLIC ANTAGONISTS SELECTIVE FOR THE(ALPHA)V(BETA)3 INTEGRIN AMERICAN HOME PRODUCTS CORPORATION (US) 2002-04-24 EP disclosed
WO-2001007036-A1 BICYCLIC ANTAGONISTS SELECTIVE FOR THE αvβ3 INTEGRIN AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-01 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-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin ITGAV, ITGB2, ITGB3 ITGB3 3/4885ITGA2B 7/4885FFAR1 485/4885

“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.