SCHEMBL6318388

SCHEMBL6318388

CC1(CC(=O)O)CC1c1ccc(OCCCNc2ccccn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.62
ITGAV P06756 18/20 0.62
ITGB1 P05556 7/20 0.62
ITGB5 P18084 4/20 0.55
ITGB6 P18564 3/20 0.55
ITGA2B P08514 4/20 0.50
ITGA5 P08648 2/20 0.46
MDM4 O15151 1/20 0.44
MDM2 Q00987 1/20 0.44
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42

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
SCHEMBL6319108 0.85 ITGB3 (0.58) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6317174 0.84 ITGB3 (0.57) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6317337 0.82 ITGB3 (0.49) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6321419 0.81 ITGB3 (0.55) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6326902 0.81 ITGB3 (0.55) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6319168 0.80 ITGB3 (0.57) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6327067 0.79 ITGB3 (0.54) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6321445 0.79 ITGB3 (0.54) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6321361 0.78 ITGB3 (0.50) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6327262 0.77 ITGB3 (0.51) ITGB3ITGAVITGB1ITGB5ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043988-A1 Cycloalkyl alkanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION 2004-03-04 US claimed
EP-1289960-A2 CYCLOALKYL ALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP claimed
US-20020077321-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-06-20 US claimed
WO-2001096307-A2 CYCLOALKYL ALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 WO claimed
US-6949578-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION (US) 2005-09-27 US disclosed
US-6921767-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2005-07-26 US disclosed
US-6900232-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION (US) 2005-05-31 US disclosed
US-20040259869-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2004-12-23 US disclosed
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 US disclosed
US-20040043988-A1 Cycloalkyl alkanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION 2004-03-04 US disclosed
US-20020077321-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-06-20 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 (4 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-20040043988-A1 Cycloalkyl alkanoic acids as intergrin receptor antagonists ADGRE5, ITGA5, ADGRF1 ITGB3 5/4885ITGAV 7/4885ITGB1 8/4885
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGB3 ITGB3 3/4885ITGAV 6/4885ITGB1 5/4885
US-20040259869-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists ITGA5, ITGB5, ITGB3 ITGB3 3/4885ITGAV 7/4885ITGB1 6/4885
US-20020077321-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists ITGA5, ITGB5, ITGB3 ITGB3 3/4885ITGAV 7/4885ITGB1 6/4885

“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.