SCHEMBL2899617

SCHEMBL2899617

O=C(O)CC(CCC1CCN(C(=O)CCCNc2ccccn2)CC1)c1cnc2ccccc2c1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.70
ITGAV P06756 16/20 0.70
ITGA2B P08514 11/20 0.70
ITGB5 P18084 5/20 0.56
F2R P25116 1/20 0.49
FAAH O00519 2/20 0.41
ITGB1 P05556 1/20 0.40
ITGB6 P18564 1/20 0.40

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
SCHEMBL2902210 0.92 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5F2R
SCHEMBL3688040 0.86 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2899066 0.84 ITGB3 (0.69) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL3539083 0.83 ITGB3 (0.77) ITGB3ITGAVITGA2BITGB5F2R
SCHEMBL2922341 0.82 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5F2R
SCHEMBL2900012 0.78 ITGB3 (0.61) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL2905452 0.78 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB1ITGB6
SCHEMBL8345381 0.76 ITGB3 (0.57) ITGB3ITGAVITGA2BITGB1ITGB6
SCHEMBL13074861 0.76 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB1ITGB6
SCHEMBL2905183 0.75 ITGB3 (0.87) ITGB3ITGAVITGA2BITGB5ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217569-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID Janssen Pharmaceutica N.V. (BE) 2010-08-18 EP claimed
US-20090124804-A1 Enantioselective process for preparing a substituted alkanoic acid JANSSEN PHARMACEUTICA NV (BE) 2009-05-14 US claimed
WO-2009058314-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-07 WO claimed
EP-2217569-B1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA NV (BE) 2014-04-16 EP disclosed
EP-1539739-B1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA NV (BE) 2010-11-24 EP disclosed
EP-2217569-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID Janssen Pharmaceutica N.V. (BE) 2010-08-18 EP disclosed
WO-2009058314-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-07 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-20090124804-A1 Enantioselective process for preparing a substituted alkanoic acid ITGA5, ITGA1, ITGB5 ITGB3 13/4885ITGAV 8/4885ITGA2B 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.