SCHEMBL4845117

SCHEMBL4845117

O=C1N(c2cc(Cl)nc(Cl)c2)C(=O)[C@]2(Cc3ccc(OC(F)(F)F)cc3)C[C@@H](O)CN12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 1/20 0.36
LIPE Q05469 8/20 0.36
METAP2 P50579 1/20 0.34
MAPT P10636 1/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
CYP3A4 P08684 1/20 0.34
GCGR P47871 2/20 0.33
HTR2C P28335 1/20 0.33
GRM2 Q14416 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL14254710 1.00 KCNN3 (0.36) KCNN3LIPEMETAP2MAPTHCRTR1
SCHEMBL4848707 1.00 KCNN3 (0.36) KCNN3LIPEMETAP2MAPTHCRTR1
SCHEMBL4841746 0.92 METAP2 (0.39) LIPEMETAP2HCRTR1HCRTR2CYP3A4
SCHEMBL14254856 0.92 METAP2 (0.39) LIPEMETAP2HCRTR1HCRTR2CYP3A4
SCHEMBL14254709 0.89 GRM2 (0.37) KCNN3LIPEHCRTR1HCRTR2CYP3A4
SCHEMBL4847817 0.89 KCNN3 (0.38) KCNN3LIPEMETAP2HCRTR1HCRTR2
SCHEMBL6478244 0.88 KCNN3 (0.34) KCNN3LIPEMETAP2MAPTHCRTR1
SCHEMBL14254846 0.86 GCGR (0.35) KCNN3LIPEMETAP2MAPTHCRTR1
SCHEMBL14254843 0.86 KCNN3 (0.34) KCNN3LIPEMETAP2HCRTR1HCRTR2
SCHEMBL6477360 0.86 GCGR (0.35) KCNN3LIPEMETAP2GCGR

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 KCNN3 989/4885LIPE 3225/4885METAP2 1571/4885

“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.