SCHEMBL4848580

SCHEMBL4848580

CN1CCN(C(=O)CCC(=O)N[C@@H]2CN3C(=O)N(c4cc(Cl)nc(Cl)c4)C(=O)[C@@]3(Cc3ccc(OC(F)(F)F)cc3)C2)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
GCGR P47871 3/20 0.35
PANK3 Q9H999 1/20 0.35
CHRM4 P08173 2/20 0.35
LIPE Q05469 3/20 0.34
ENPP2 Q13822 1/20 0.34
EPHX2 P34913 2/20 0.34
CCR2 P41597 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PRKAA2 P54646 1/20 0.33
MCHR1 Q99705 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
ABL1 P00519 1/20 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
SCHEMBL4850172 0.94 KDM1A (0.36) KDM1AMAOBGCGRCHRM4LIPE
SCHEMBL4848881 0.89 GCGR (0.38) GCGRCHRM4LIPECCR2MCHR1
SCHEMBL6478087 0.87 GCGR (0.36) GCGRCHRM4LIPEEPHX2CCR2
SCHEMBL6478251 0.86 LIPE (0.37) GCGRCHRM4LIPEEPHX2CCR2
SCHEMBL4849155 0.86 SMPD3 (0.38) GCGRLIPE
SCHEMBL4845094 0.85 LIPE (0.36) GCGRLIPEEPHX2CCR2MCHR1
SCHEMBL6477360 0.84 GCGR (0.35) GCGRLIPEEPHX2
SCHEMBL6488797 0.83 CCR2 (0.36) GCGRLIPEEPHX2CCR2MCHR1
SCHEMBL4845087 0.83 GCGR (0.36) GCGRLIPE
SCHEMBL6479033 0.82 LIPE (0.33) GCGRCHRM4LIPEEPHX2CCR2

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 3 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

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 KDM1A 2002/4885MAOB 2394/4885GCGR 3730/4885

“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.