SCHEMBL2849417

SCHEMBL2849417

CCOC(=O)c1oc(N2CC[C@@H](NC(=O)OCc3ccccc3)[C@@H](OC)C2)nc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.40
ROCK2 O75116 1/20 0.40
OPRK1 P41145 3/20 0.40
SMPD3 Q9NY59 1/20 0.39
CTSK P43235 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
PTGES O14684 3/20 0.38
PTGS2 P35354 3/20 0.38
TSHR P16473 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
DRD3 P35462 1/20 0.37
P2RY12 Q9H244 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL2849414 1.00 CPB1 (0.40) CPB1ROCK2OPRK1SMPD3CTSK
SCHEMBL2851747 0.88 OPRK1 (0.43) CPB1ROCK2OPRK1SMPD3CTSK
SCHEMBL2851749 0.88 OPRK1 (0.43) CPB1ROCK2OPRK1SMPD3CTSK
SCHEMBL2850519 0.87 OPRK1 (0.42) CPB1ROCK2OPRK1SMPD3CTSK
SCHEMBL2850517 0.87 OPRK1 (0.42) CPB1ROCK2OPRK1SMPD3CTSK
SCHEMBL2848756 0.86 OPRK1 (0.41) CPB1ROCK2OPRK1SMPD3CTSK
SCHEMBL2848753 0.86 OPRK1 (0.41) CPB1ROCK2OPRK1SMPD3CTSK
SCHEMBL2852560 0.85 OPRK1 (0.41) CPB1ROCK2OPRK1SMPD3CTSK
SCHEMBL2852562 0.85 OPRK1 (0.41) CPB1ROCK2OPRK1SMPD3CTSK
SCHEMBL2848533 0.85 HCRTR1 (0.41) CPB1ROCK2OPRK1SMPD3CTSK

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 CPB1 1454/4885ROCK2 1052/4885OPRK1 3394/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A CPB1 474/4885ROCK2 1755/4885OPRK1 3443/4885

“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.