SCHEMBL4847994

SCHEMBL4847994

N#Cc1ccc(CC23CCCN2C(=O)N(Cc2ccncc2)C3=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.44
CYP2C9 P11712 4/20 0.44
CYP2C19 P33261 3/20 0.44
CYP2D6 P10635 11/20 0.43
CYP1A2 P05177 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HSD11B1 P28845 1/20 0.40
TSHR P16473 4/20 0.38
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
KCNH2 Q12809 1/20 0.36
USP2 O75604 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RIPK3 Q9Y572 1/20 0.36
CYP19A1 P11511 2/20 0.36

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 0.86 HSD11B1 (0.39) CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2
SCHEMBL4841572 0.76 KCNH2 (0.37) CYP3A4HSD11B1FNTAFNTBKCNH2
SCHEMBL4845276 0.75 ITGAL (0.42) HSD11B1
SCHEMBL4848463 0.75 HSD11B1 (0.37) CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2
SCHEMBL14264113 0.73 TSHR (0.37) CYP3A4CYP2D6HSD11B1TSHRALDH1A1
SCHEMBL4850402 0.72 HSD11B1 (0.36) CYP3A4CYP2C9CYP2C19CYP2D6SMN1; SMN2
SCHEMBL16349444 0.71 ITGAL (0.35) CYP3A4CYP2C9CYP2C19CYP2D6HSD11B1
SCHEMBL4848014 0.71 METAP2 (0.36) CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2
SCHEMBL4847423 0.70 ITGAL (0.38) CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2
SCHEMBL4850447 0.70 MCHR1 (0.38) CYP3A4CYP2C9CYP2C19CYP2D6HSD11B1

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 CYP3A4 4533/4885CYP2C9 4195/4885CYP2C19 4176/4885

“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.