SCHEMBL4841738

SCHEMBL4841738

O=Cc1ccccc1-c1ccc(CC23CCCCN2C(=O)N(c2cc(Cl)cc(Cl)c2)C3=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 4/20 0.35
ITGB2 P05107 3/20 0.35
ICAM1 P05362 3/20 0.35
DRD2 P14416 3/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 2/20 0.32
KCNH2 Q12809 1/20 0.32
METAP2 P50579 1/20 0.32
PGR P06401 2/20 0.31
AGTR1 P30556 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL4843286 0.87 FPR1 (0.35) ITGALITGB2ICAM1DRD2DRD3
SCHEMBL4848531 0.85 AGTR1 (0.44) AGTR1LTB4R2
Dimethylamine SCHEMBL4845222 0.85 ITGAL (0.36) ITGALITGB2ICAM1KCNH2METAP2
SCHEMBL4845083 0.85 PRKDC (0.38) ITGALITGB2ICAM1METAP2
SCHEMBL4844697 0.82 PTGER4 (0.40) METAP2
SCHEMBL4848901 0.82 MEN1 (0.38) ITGALITGB2ICAM1AGTR1LTB4R2
SCHEMBL4847245 0.82 ACHE (0.46) AGTR1LTB4R2
SCHEMBL14254855 0.81 ITGAL (0.46) ITGALITGB2ICAM1DRD2DRD3
SCHEMBL4840686 0.81 ITGAL (0.54) ITGALITGB2ICAM1
SCHEMBL4848701 0.80 REN (0.34) ITGALITGB2ICAM1METAP2AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342012-B2 Inhibitors of αLβ2 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-11 US disclosed
US-20050148602-A1 Inhibitors of alphaLbeta2 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2005-07-07 US disclosed
US-6897225-B1 Inhibitors of αLβ2 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-05-24 US disclosed
EP-1307455-B1 INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2005-04-06 EP 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-20050148602-A1 Inhibitors of alphaLbeta2 mediated cell adhesion ITGB2, ITGA2B, ITGB1 ITGAL 6/4885ITGB2 1/4885ICAM1 10/4885

“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.