SCHEMBL2848533

SCHEMBL2848533

CCOC(=O)c1coc(N2CCC(NC(=O)OCc3ccccc3)C(OC)C2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
CPB1 P15086 2/20 0.40
ROCK2 O75116 1/20 0.40
OPRK1 P41145 4/20 0.40
CTSK P43235 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
SMPD3 Q9NY59 1/20 0.38
TSHR P16473 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
TACR1 P25103 1/20 0.35

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
SCHEMBL2848537 1.00 HCRTR1 (0.41) HCRTR1HCRTR2CPB1ROCK2OPRK1
SCHEMBL2851749 0.87 OPRK1 (0.43) CPB1ROCK2OPRK1CTSKCTSL
SCHEMBL2851747 0.87 OPRK1 (0.43) CPB1ROCK2OPRK1CTSKCTSL
SCHEMBL2849414 0.85 CPB1 (0.40) CPB1ROCK2OPRK1CTSKCTSL
SCHEMBL2849417 0.85 CPB1 (0.40) CPB1ROCK2OPRK1CTSKCTSL
SCHEMBL2850519 0.84 OPRK1 (0.42) CPB1ROCK2OPRK1CTSKCTSL
SCHEMBL2850517 0.84 OPRK1 (0.42) CPB1ROCK2OPRK1CTSKCTSL
SCHEMBL2848756 0.83 OPRK1 (0.41) CPB1ROCK2OPRK1CTSKCTSL
SCHEMBL2848753 0.83 OPRK1 (0.41) CPB1ROCK2OPRK1CTSKCTSL
SCHEMBL2852560 0.82 OPRK1 (0.41) CPB1ROCK2OPRK1CTSKCTSL

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-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 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 (2 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A HCRTR1 4879/4885HCRTR2 4882/4885CPB1 1454/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A HCRTR1 4835/4885HCRTR2 4879/4885CPB1 474/4885

“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.