SCHEMBL72827

SCHEMBL72827

COC(=O)C1[C@@H](O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
EPHX1 P07099 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.37
PREP P48147 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL20729579 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3EPHX1HSD17B10
SCHEMBL200722 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3EPHX1HSD17B10
SCHEMBL26893965 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3EPHX1HSD17B10
SCHEMBL91558 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3EPHX1HSD17B10
SCHEMBL8304417 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3EPHX1HSD17B10
SCHEMBL27043970 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3EPHX1HSD17B10
SCHEMBL692637 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3EPHX1HSD17B10
SCHEMBL200978 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3EPHX1HSD17B10
SCHEMBL13216436 0.91 HSD17B10 (0.45) CHRM2CHRM1CHRM3EPHX1HSD17B10
SCHEMBL2965236 0.91 HSD17B10 (0.45) CHRM2CHRM1CHRM3EPHX1HSD17B10

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 8 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
WO-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 WO 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
US-7405234-B2 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-29 US 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.