SCHEMBL4848934

SCHEMBL4848934

CN(C)CCOCc1ccccc1-c1ccc(CC23CCCCN2C(=O)N(c2cc(Cl)cc(Cl)c2)C3=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
ITGB2 P05107 2/20 0.32
ICAM1 P05362 2/20 0.32
ITGAL P20701 2/20 0.32
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
GRM2 Q14416 1/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL4845206 0.88 GRM2 (0.40) OPRM1OPRK1ITGB2ICAM1ITGAL
SCHEMBL4843286 0.84 FPR1 (0.35) OPRM1OPRK1ITGB2ICAM1ITGAL
SCHEMBL4841624 0.84 ITGAL (0.35) OPRM1OPRK1ITGB2ICAM1ITGAL
SCHEMBL4848701 0.82 REN (0.34) OPRM1OPRK1ITGB2ICAM1ITGAL
SCHEMBL4845247 0.80 REN (0.34) ITGB2ICAM1ITGALMCHR1
SCHEMBL4847245 0.80 ACHE (0.46)
SCHEMBL4848901 0.80 MEN1 (0.38) ITGB2ICAM1ITGAL
SCHEMBL4844697 0.80 PTGER4 (0.40)
Dimethylamine SCHEMBL4845222 0.79 ITGAL (0.36) OPRM1OPRK1ITGB2ICAM1ITGAL
SCHEMBL4841738 0.79 ITGAL (0.35) OPRM1OPRK1ITGB2ICAM1ITGAL

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 3 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
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 OPRM1 3852/4885OPRK1 3128/4885ITGB2 1/4885

“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.