SCHEMBL71464

SCHEMBL71464

CN(C)C1CN(C(O[C@H]2CC[C@H](C(=O)O)CC2)(C(=O)Cc2cc(Cl)c(NC(=O)c3csc4ccccc34)cc2Cl)N2CCCC2)C1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 16/20 0.43
ITGA4 P13612 16/20 0.43
NPY1R P25929 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRK1 P41145 2/20 0.33
C5AR1 P21730 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
SCHEMBL71465 1.00 ITGB1 (0.43) ITGB1ITGA4NPY1ROPRM1OPRK1
SCHEMBL72874 0.94 ITGB1 (0.41) ITGB1ITGA4C5AR1
SCHEMBL72875 0.94 ITGB1 (0.41) ITGB1ITGA4C5AR1
SCHEMBL83207 0.93 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL83208 0.93 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL72999 0.93 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL73000 0.93 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL71136 0.92 ITGB1 (0.47) ITGB1ITGA4
SCHEMBL71135 0.92 ITGB1 (0.47) ITGB1ITGA4
SCHEMBL71010 0.92 ITGB1 (0.46) ITGB1ITGA4

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
EP-1961750-B1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO CO LTD (JP) 2013-09-18 EP disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1961750-A1 VLA-4 INHIBITORY DRUG Daiichi Sankyo Company, Limited (JP) 2008-08-27 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 (3 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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 ITGB1 16/4885ITGA4 3/4885NPY1R 3258/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 ITGB1 13/4885ITGA4 3/4885NPY1R 3633/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 ITGB1 22/4885ITGA4 3/4885NPY1R 4015/4885

“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.