SCHEMBL4848014

SCHEMBL4848014

N#Cc1ccc(CC23CCCN2C(=O)N(c2cc(Cl)cc(Cl)c2N)C3=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.36
CNR1 P21554 1/20 0.35
HSD11B1 P28845 1/20 0.35
CYP3A4 P08684 7/20 0.34
CYP2D6 P10635 6/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TSHR P16473 3/20 0.34
USP2 O75604 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
ITGB2 P05107 2/20 0.32
ICAM1 P05362 2/20 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
SCHEMBL4850402 0.88 HSD11B1 (0.36) METAP2HSD11B1CYP3A4CYP2D6SMN1; SMN2
SCHEMBL14264032 0.86 HSD11B1 (0.34) METAP2HSD11B1CYP3A4CYP2D6SMN1; SMN2
SCHEMBL4845276 0.86 ITGAL (0.42) METAP2CNR1HSD11B1ITGB2ICAM1
SCHEMBL4847423 0.80 ITGAL (0.38) METAP2HSD11B1CYP3A4CYP2D6SMN1; SMN2
SCHEMBL4848463 0.79 HSD11B1 (0.37) METAP2HSD11B1CYP3A4CYP2D6SMN1; SMN2
SCHEMBL4850447 0.78 MCHR1 (0.38) HSD11B1CYP3A4CYP2D6TSHRUSP2
SCHEMBL4849035 0.78 HSD11B1 (0.39) METAP2CNR1HSD11B1CYP3A4CYP2D6
SCHEMBL4839926 0.76 ITGAL (0.35) METAP2HSD11B1CYP3A4CYP2D6SMN1; SMN2
SCHEMBL16349444 0.76 ITGAL (0.35) HSD11B1CYP3A4CYP2D6TSHRALDH1A1
SCHEMBL4847327 0.75 CYP2D6 (0.38) METAP2CNR1HSD11B1CYP3A4CYP2D6

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 METAP2 1571/4885CNR1 3670/4885HSD11B1 935/4885

“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.