SCHEMBL4848701

SCHEMBL4848701

CN(C)C(=O)CCc1ccccc1-c1ccc(CC23CCCCN2C(=O)N(c2cc(Cl)cc(Cl)c2)C3=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.34
ITGB2 P05107 2/20 0.33
ICAM1 P05362 2/20 0.33
ITGAL P20701 2/20 0.33
MLNR O43193 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALDH1A1 P00352 1/20 0.32
METAP2 P50579 1/20 0.31
AGTR1 P30556 3/20 0.30
LTB4R2 Q9NPC1 2/20 0.30
PTGER1 P34995 1/20 0.30
PTGER4 P35408 1/20 0.30
PTGER3 P43115 1/20 0.30
PTGER2 P43116 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
BCL2 P10415 1/20 0.30
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL4844697 0.90 PTGER4 (0.40) METAP2PTGER1PTGER4PTGER3PTGER2
SCHEMBL4845247 0.89 REN (0.34) RENITGB2ICAM1ITGALMETAP2
SCHEMBL4845206 0.87 GRM2 (0.40) ITGB2ICAM1ITGALMLNRCYP3A4
SCHEMBL4843286 0.86 FPR1 (0.35) ITGB2ICAM1ITGALMETAP2AGTR1
SCHEMBL4848901 0.85 MEN1 (0.38) ITGB2ICAM1ITGALALDH1A1AGTR1
SCHEMBL4841624 0.85 ITGAL (0.35) ITGB2ICAM1ITGALMETAP2AGTR1
SCHEMBL4848934 0.82 OPRM1 (0.33) ITGB2ICAM1ITGALOPRM1OPRK1
SCHEMBL4848531 0.81 AGTR1 (0.44) AGTR1LTB4R2
SCHEMBL4847245 0.80 ACHE (0.46) CYP3A4AGTR1LTB4R2
Dimethylamine SCHEMBL4845222 0.80 ITGAL (0.36) ITGB2ICAM1ITGALMETAP2AGTR1

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 REN 1204/4885ITGB2 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.