SCHEMBL6319346

SCHEMBL6319346

CC1(CC(=O)O)CC1c1ccc(OCCc2ccc3c(n2)NCCC3)cc1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.75
ITGAV P06756 20/20 0.75
ITGB6 P18564 12/20 0.70
ITGB5 P18084 6/20 0.70
ITGB1 P05556 2/20 0.65
ITGA2B P08514 1/20 0.56

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
SCHEMBL6326521 0.86 ITGB3 (0.71) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL6319523 0.86 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL6325092 0.85 ITGB3 (0.69) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL6320211 0.83 ITGB3 (0.88) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL6319897 0.83 ITGB3 (0.78) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL6328289 0.82 ITGB3 (0.78) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL6318125 0.82 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL6327052 0.82 ITGB3 (0.79) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL6327319 0.82 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL6329739 0.81 ITGB3 (0.76) ITGB3ITGAVITGB6ITGB5ITGB1

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 15 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
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP 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
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO disclosed
EP-1289960-A2 CYCLOALKYL ALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP disclosed
US-20020077321-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-06-20 US disclosed
WO-2001096307-A2 CYCLOALKYL ALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 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 (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 7/4885ITGB6 21/4885
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGB3 ITGB3 3/4885ITGAV 6/4885ITGB6 14/4885
US-20040259869-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists ITGA5, ITGB5, ITGB3 ITGB3 3/4885ITGAV 7/4885ITGB6 14/4885
US-20020077321-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists ITGA5, ITGB5, ITGB3 ITGB3 3/4885ITGAV 7/4885ITGB6 14/4885

“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.