SCHEMBL13602001

SCHEMBL13602001

O=C(N[C@@H](Cc1ccc(OC(=O)N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1)C(=O)O)c1ccccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.66
ITGA4 P13612 6/20 0.66
ITGB7 P26010 6/20 0.66
OPRK1 P41145 13/20 0.48
OPRM1 P35372 8/20 0.48
HTR2C P28335 3/20 0.48
AVPR1A P37288 3/20 0.48
ADORA3 P0DMS8 2/20 0.48
HTR1A P08908 1/20 0.48
SLC6A3 Q01959 1/20 0.48
OPRL1 P41146 5/20 0.45
OPRD1 P41143 4/20 0.45
DRD3 P35462 1/20 0.44

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
SCHEMBL13693055 0.92 ITGB1 (0.54) ITGB1ITGA4ITGB7OPRK1OPRM1
SCHEMBL13689656 0.88 ITGB1 (0.55) ITGB1ITGA4ITGB7OPRK1OPRM1
SCHEMBL13601993 0.82 ITGB1 (0.84) ITGB1ITGA4ITGB7
SCHEMBL8278642 0.81 ITGA4 (0.79) ITGB1ITGA4ITGB7
SCHEMBL13602006 0.81 ITGB1 (0.79) ITGB1ITGA4ITGB7
SCHEMBL13602017 0.81 ITGB1 (0.82) ITGB1ITGA4ITGB7
SCHEMBL13693097 0.80 ITGB1 (0.46) ITGB1ITGA4ITGB7OPRK1OPRM1
SCHEMBL13602106 0.80 ITGB1 (1.00) ITGB1ITGA4ITGB7
SCHEMBL6807415 0.80 ITGA4 (0.50) ITGB1ITGA4ITGB7OPRK1OPRM1
SCHEMBL6807468 0.78 ITGB1 (0.54) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 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 (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-20090325962-A1 TYROSINE DERIVATIVE VCAM1, ICAM1, ITGB4 ITGB1 7/4885ITGA4 4/4885ITGB7 46/4885
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B ITGB1 8/4885ITGA4 25/4885ITGB7 21/4885

“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.