SCHEMBL1413111

SCHEMBL1413111

CCN(CC)c1ncc(N(CC)C(=O)c2ccccc2Cl)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)O)n1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.85
ITGA4 P13612 20/20 0.85
ITGB7 P26010 20/20 0.85

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
SCHEMBL1413065 0.92 ITGB1 (0.79) ITGB1ITGA4ITGB7
SCHEMBL1413059 0.92 ITGB1 (1.00) ITGB1ITGA4ITGB7
SCHEMBL1413012 0.91 ITGB1 (0.88) ITGB1ITGA4ITGB7
SCHEMBL1413092 0.89 ITGB1 (0.87) ITGB1ITGA4ITGB7
SCHEMBL1413011 0.89 ITGB1 (0.82) ITGB1ITGA4ITGB7
SCHEMBL1413141 0.88 ITGB1 (0.81) ITGB1ITGA4ITGB7
SCHEMBL1413088 0.88 ITGB1 (1.00) ITGB1ITGA4ITGB7
SCHEMBL1413132 0.88 ITGB1 (0.85) ITGB1ITGA4ITGB7
SCHEMBL1413048 0.88 ITGB1 (0.98) ITGB1ITGA4ITGB7
SCHEMBL1413143 0.88 ITGB1 (1.00) ITGB1ITGA4ITGB7

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367688-B2 Carbamate compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2013-02-05 US claimed
US-8158642-B2 Carbamate compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2012-04-17 US claimed
EP-1940827-B1 CARBAMATE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2011-03-16 EP claimed
US-7727996-B2 Carbamate compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US claimed
US-20100113434-A1 CARBAMATE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. 2010-05-06 US claimed
EP-1940827-A1 CARBAMATE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals Inc. (US) 2008-07-09 EP claimed
US-20070129390-A1 Carbamate compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2007-06-07 US claimed
WO-2007041324-A1 CARBAMATE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-04-12 WO claimed
US-8367688-B2 Carbamate compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367688-B2 Carbamate compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367688-B2 Carbamate compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8158642-B2 Carbamate compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-8158642-B2 Carbamate compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-8158642-B2 Carbamate compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
EP-1940827-A1 CARBAMATE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals Inc. (US) 2008-07-09 EP disclosed
US-20070129390-A1 Carbamate compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2007-06-07 US disclosed
US-20070129390-A1 Carbamate compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2007-06-07 US disclosed
US-20070129390-A1 Carbamate compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2007-06-07 US disclosed
WO-2007041324-A1 CARBAMATE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-04-12 WO disclosed
WO-2007041324-A1 CARBAMATE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-04-12 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 (2 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-20070129390-A1 Carbamate compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 ITGB1 83/4885ITGA4 7/4885ITGB7 384/4885
US-20100113434-A1 CARBAMATE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 VCAM1, ICAM1, CD4 ITGB1 83/4885ITGA4 7/4885ITGB7 384/4885

“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.