SCHEMBL4841572

SCHEMBL4841572

N#Cc1ccc(CC23CCCN2C(=O)N(CCc2cccc(Cl)c2)C3=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.37
FNTA P49354 3/20 0.37
FNTB P49356 3/20 0.37
CYP3A4 P08684 1/20 0.37
PGGT1B P53609 1/20 0.37
KCNJ1 P48048 3/20 0.36
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
DAO P14920 1/20 0.35
OPRM1 P35372 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HSD11B1 P28845 2/20 0.35
METAP2 P50579 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
KCNN4 O15554 1/20 0.34

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
SCHEMBL4849035 0.83 HSD11B1 (0.39) CYP3A4MAPTKMT2AHSD11B1METAP2
SCHEMBL4845276 0.77 ITGAL (0.42) HSD11B1METAP2
SCHEMBL4847994 0.76 CYP3A4 (0.44) KCNH2FNTAFNTBCYP3A4HSD11B1
SCHEMBL4847423 0.74 ITGAL (0.38) CYP3A4HSD11B1METAP2
SCHEMBL4848463 0.73 HSD11B1 (0.37) CYP3A4HSD11B1METAP2
SCHEMBL4848014 0.72 METAP2 (0.36) FNTAFNTBCYP3A4MAPTKMT2A
SCHEMBL4850402 0.72 HSD11B1 (0.36) KCNH2CYP3A4KMT2AHSD11B1METAP2
SCHEMBL4850447 0.70 MCHR1 (0.38) CYP3A4KMT2AHSD11B1
SCHEMBL4839926 0.70 ITGAL (0.35) CYP3A4HSD11B1METAP2
SCHEMBL16349444 0.69 ITGAL (0.35) CYP3A4HSD11B1

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 7 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
EP-1307455-B1 INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2005-04-06 EP disclosed
EP-1307455-A2 INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2003-05-07 EP disclosed
WO-2001030781-A2 INHIBITORS OF αLβ2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2001-05-03 WO 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 KCNH2 869/4885FNTA 1804/4885FNTB 925/4885

“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.