SCHEMBL4841611

SCHEMBL4841611

N#Cc1ccc(CC23CCCN2C(=O)N(c2cc(Cl)nc(-c4ccc[nH]4)c2)C3=O)cc1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 4/20 0.31
ICAM1 P05362 4/20 0.31
ITGAL P20701 4/20 0.31
HSD11B1 P28845 1/20 0.31
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MCHR1 Q99705 2/20 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
SCHEMBL4846272 0.94 HSD11B1 (0.32) ITGB2ICAM1ITGALHSD11B1CYP2D6
SCHEMBL4848463 0.87 HSD11B1 (0.37) ITGB2ICAM1ITGALHSD11B1CYP2D6
SCHEMBL16349444 0.83 ITGAL (0.35) ITGB2ICAM1ITGALHSD11B1CYP2D6
SCHEMBL7185871 0.81 PARP1 (0.33) TSHR
SCHEMBL4845276 0.81 ITGAL (0.42) ITGB2ICAM1ITGALHSD11B1
SCHEMBL14264113 0.78 TSHR (0.37) ITGB2ICAM1ITGALHSD11B1CYP2D6
SCHEMBL4850402 0.77 HSD11B1 (0.36) ITGB2ICAM1ITGALHSD11B1CYP2D6
SCHEMBL4847423 0.77 ITGAL (0.38) ITGB2ICAM1ITGALHSD11B1CYP2D6
SCHEMBL14264032 0.75 HSD11B1 (0.34) HSD11B1CYP2D6TSHRSMN1; SMN2
SCHEMBL4850447 0.75 MCHR1 (0.38) ITGB2ICAM1ITGALHSD11B1CYP2D6

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-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

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 ITGB2 1/4885ICAM1 10/4885ITGAL 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.