SCHEMBL4840751

SCHEMBL4840751

O=C(Nc1ccccc1)Nc1cccc(-c2ccc(CC34CCCN3C(=O)N(c3cc(Cl)cc(Cl)c3)C4=O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.47
CNR2 P34972 1/20 0.43
MCHR1 Q99705 1/20 0.41
MGLL Q99685 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
SCN5A Q14524 1/20 0.39
GRIK1 P39086 1/20 0.39

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
SCHEMBL6219120 0.92 CNR1 (0.37) CNR1CNR2MCHR1LMNAHPGD
SCHEMBL7106026 0.88 NR1H4 (0.36) CNR1MCHR1EPHX1EPHX2SCN5A
SCHEMBL14254759 0.82 ITGAL (0.36) MCHR1EPHX1EPHX2SCN5A
SCHEMBL14254855 0.81 ITGAL (0.46) CNR1TSHREPHX2
SCHEMBL4846595 0.79 NR1H4 (0.44)
SCHEMBL4847498 0.79 ITGAL (0.39) TSHR
SCHEMBL4847326 0.79 ITGAL (0.39)
SCHEMBL4848864 0.78 LMNA (0.39) MCHR1LMNAHPGDTSHR
SCHEMBL4848531 0.77 AGTR1 (0.44)
SCHEMBL4844859 0.76 ITGAL (0.41) LMNA

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 6 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-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 CNR1 3670/4885CNR2 2608/4885MCHR1 4626/4885

“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.