SCHEMBL4845247

SCHEMBL4845247

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACHE P22303 1/20 0.34
PTPN1 P18031 2/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
ITGB1 P05556 2/20 0.33
ITGA4 P13612 2/20 0.33
METAP2 P50579 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
HTR7 P34969 1/20 0.32
OPRL1 P41146 3/20 0.32
MCHR1 Q99705 2/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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) METAP2FFAR1FFAR4
SCHEMBL4848701 0.89 REN (0.34) RENMETAP2ITGB2ICAM1ITGAL
SCHEMBL4843286 0.86 FPR1 (0.35) METAP2ITGB2ICAM1ITGALMCHR1
SCHEMBL4847245 0.85 ACHE (0.46) ACHE
SCHEMBL4841624 0.85 ITGAL (0.35) METAP2ITGB2ICAM1ITGALMCHR1
SCHEMBL4845206 0.83 GRM2 (0.40) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL4845083 0.82 PRKDC (0.38) ACHECCNCCDK8ITGB1ITGA4
SCHEMBL4845091 0.82 PRKDC (0.38) ACHECCNCCDK8ITGB1ITGA4
Dimethylamine SCHEMBL4845222 0.81 ITGAL (0.36) METAP2ITGB2ICAM1ITGALMCHR1
SCHEMBL4848531 0.81 AGTR1 (0.44)

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 1204/4885NPC1 1774/4885RAB9A 1967/4885

“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.