SCHEMBL71966

SCHEMBL71966

CC(C)(C)OC(=O)N1CC2C[C@H]1CN2C1CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
HSD11B1 P28845 1/20 0.48
CCR2 P41597 4/20 0.44
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
PREP P48147 3/20 0.40
PARP1 P09874 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
NR1H2 P55055 1/20 0.39
AR P10275 1/20 0.39
HDAC1 Q13547 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
SCHEMBL71964 1.00 CHRM2 (0.49) CHRM2CHRM1CHRM3HSD11B1CCR2
SCHEMBL18591950 0.91 HSD11B1 (0.44) CHRM2CHRM1CHRM3HSD11B1CCR2
SCHEMBL30289086 0.90 HSD11B1 (0.42) CHRM2CHRM1CHRM3HSD11B1CCR2
SCHEMBL30289480 0.90 NR1H2 (0.51) CHRM2CHRM1CHRM3HSD11B1CCR2
SCHEMBL24700743 0.90 CHRM2 (0.47) CHRM2CHRM1CHRM3HSD11B1CCR2
SCHEMBL22565458 0.89 HSD11B1 (0.41) CHRM2CHRM1CHRM3HSD11B1CCR2
SCHEMBL28836074 0.86 HSD11B1 (0.45) CHRM2CHRM1CHRM3HSD11B1CCR2
SCHEMBL1197096 0.81 HSD11B1 (0.51) CHRM2CHRM1CHRM3HSD11B1CCR2
SCHEMBL21577700 0.81 HSD11B1 (0.51) CHRM2CHRM1CHRM3HSD11B1CCR2
SCHEMBL30365145 0.81 HSD11B1 (0.51) CHRM2CHRM1CHRM3HSD11B1CCR2

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 CHRM2 1896/4885CHRM1 1078/4885CHRM3 1886/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 CHRM2 2230/4885CHRM1 1293/4885CHRM3 2168/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 CHRM2 2033/4885CHRM1 1300/4885CHRM3 2253/4885

“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.