SCHEMBL2848756

SCHEMBL2848756

CCOC(=O)c1nc(N2CC[C@@H](NC(=O)OCc3ccccc3)[C@@H](OC)C2)oc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.41
SMPD3 Q9NY59 1/20 0.39
CTSK P43235 2/20 0.39
CPB1 P15086 1/20 0.39
ROCK2 O75116 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
PTGES O14684 3/20 0.36
PTGS2 P35354 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR55 Q9Y2T6 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
SCHEMBL2848753 1.00 OPRK1 (0.41) OPRK1SMPD3CTSKCPB1ROCK2
SCHEMBL2852983 0.92 TSHR (0.38) OPRK1SMPD3CTSKCPB1TSHR
SCHEMBL2852986 0.92 TSHR (0.38) OPRK1SMPD3CTSKCPB1TSHR
SCHEMBL2851747 0.91 OPRK1 (0.43) OPRK1SMPD3CTSKCPB1ROCK2
SCHEMBL2851749 0.91 OPRK1 (0.43) OPRK1SMPD3CTSKCPB1ROCK2
SCHEMBL2850519 0.90 OPRK1 (0.42) OPRK1SMPD3CTSKCPB1ROCK2
SCHEMBL2850517 0.90 OPRK1 (0.42) OPRK1SMPD3CTSKCPB1ROCK2
SCHEMBL2852562 0.88 OPRK1 (0.41) OPRK1SMPD3CTSKCPB1ROCK2
SCHEMBL2852560 0.88 OPRK1 (0.41) OPRK1SMPD3CTSKCPB1ROCK2
SCHEMBL2849414 0.86 CPB1 (0.40) OPRK1SMPD3CTSKCPB1ROCK2

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 OPRK1 3394/4885SMPD3 3900/4885CTSK 1636/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A OPRK1 3443/4885SMPD3 2568/4885CTSK 2142/4885

“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.