SCHEMBL71462

SCHEMBL71462

CCOC(=O)[C@H]1CC[C@H](OC(C(=O)OC(C)(C)C)(N2CCCC2)N2CCN(c3ccccn3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.46
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.40
HSD17B10 Q99714 3/20 0.40
ATM Q13315 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
GRM1 Q13255 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
CTSB P07858 1/20 0.38
CPB2 Q96IY4 1/20 0.38

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
SCHEMBL71463 1.00 GPR119 (0.46) GPR119ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL15252921 0.85 GPR119 (0.48) GPR119ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL71956 0.85 MAPT (0.40) ALDH1A1KDM4EMAPTHTTKMT2A
SCHEMBL71955 0.85 MAPT (0.40) ALDH1A1KDM4EMAPTHTTKMT2A
SCHEMBL73423 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTHTTKMT2A
SCHEMBL73422 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTHTTKMT2A
SCHEMBL72710 0.82 ALDH1A1 (0.46) ALDH1A1MAPTHTTKMT2AMEN1
Hydrochloric Acid SCHEMBL72343 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTHTTKMT2A
Hydrochloric Acid SCHEMBL72344 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTHTTKMT2A
SCHEMBL72711 0.82 ALDH1A1 (0.46) ALDH1A1MAPTHTTKMT2AMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GPR119 498/4885ALDH1A1 216/4885KDM4E 983/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 GPR119 574/4885ALDH1A1 207/4885KDM4E 996/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 GPR119 651/4885ALDH1A1 525/4885KDM4E 1607/4885

“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.