SCHEMBL2431880

SCHEMBL2431880

COC(=O)c1ccc(OC[C@@H]2CCCN2C(OC)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
CHRNB2 P17787 4/20 0.42
CHRNA7 P36544 4/20 0.42
CHRNA4 P43681 4/20 0.42
CHRNA5 P30532 3/20 0.42
MAPT P10636 1/20 0.40
CHEK2 O96017 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL2430179 0.83 CHRNB2 (0.56) KDM4ECHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL5151622 0.81 NPC1 (0.47) KDM4EMAPTCHEK2
SCHEMBL2434344 0.80 KDM4E (0.43) KDM4ECHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL2432680 0.80 KDM4E (0.43) KDM4ECHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL2437888 0.79 LTA4H (0.46) KDM4ECHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL6543099 0.76 KDM4E (0.51) KDM4ECHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL6543107 0.76 KDM4E (0.51) KDM4ECHRNB2CHRNA7CHRNA4CHRNA5
SCHEMBL14592572 0.73 MAPT (0.45) KDM4EMAPTCHEK2DRD2DRD4
SCHEMBL2429206 0.73 MEN1 (0.49) CHRNB2CHRNA7CHRNA4CHRNA5CHEK2
SCHEMBL28524412 0.73 MEN1 (0.49) CHRNB2CHRNA7CHRNA4CHRNA5CHEK2

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
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 KDM4E 1271/4885CHRNB2 1103/4885CHRNA7 1726/4885

“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.