SCHEMBL4843286

SCHEMBL4843286

O=C1N(c2cc(Cl)cc(Cl)c2)C(=O)C2(Cc3ccc(-c4ccccc4CO)cc3)CCCCN12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
ITGAL P20701 4/20 0.35
ITGB2 P05107 3/20 0.35
ICAM1 P05362 3/20 0.35
METAP2 P50579 4/20 0.35
HSD17B3 P37058 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
MCHR1 Q99705 2/20 0.31
PGR P06401 1/20 0.31
AGTR1 P30556 2/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
CHRM1 P11229 1/20 0.31
HTR2A P28223 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
SCHEMBL4841624 0.93 ITGAL (0.35) ITGALITGB2ICAM1METAP2OPRM1
SCHEMBL4844697 0.89 PTGER4 (0.40) METAP2
SCHEMBL4845206 0.89 GRM2 (0.40) ITGALITGB2ICAM1OPRM1OPRK1
SCHEMBL4848531 0.87 AGTR1 (0.44) AGTR1LTB4R2
SCHEMBL4841738 0.87 ITGAL (0.35) ITGALITGB2ICAM1METAP2OPRM1
SCHEMBL4845247 0.86 REN (0.34) ITGALITGB2ICAM1METAP2MCHR1
SCHEMBL4848701 0.86 REN (0.34) ITGALITGB2ICAM1METAP2OPRM1
Dimethylamine SCHEMBL4845222 0.85 ITGAL (0.36) ITGALITGB2ICAM1METAP2OPRM1
SCHEMBL4848934 0.84 OPRM1 (0.33) ITGALITGB2ICAM1OPRM1OPRK1
SCHEMBL4847245 0.84 ACHE (0.46) HSD17B3AGTR1LTB4R2

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 FPR1 1576/4885FPR2 724/4885ITGAL 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.