SCHEMBL2847101

SCHEMBL2847101

CCOC(=O)c1nc(N2CCC(NC(=O)OCc3ccccc3)C(OCC)C2)oc1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.40
PTGES O14684 3/20 0.39
PTGS2 P35354 3/20 0.39
TSHR P16473 1/20 0.39
SMPD3 Q9NY59 1/20 0.39
TARBP2 Q15633 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CTSK P43235 2/20 0.38
CPB1 P15086 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
GAA P10253 1/20 0.38
TACR1 P25103 2/20 0.37
OPRK1 P41145 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
SCHEMBL2847103 1.00 ROCK2 (0.40) ROCK2PTGESPTGS2TSHRSMPD3
SCHEMBL2850055 0.94 ALDH1A1 (0.40) ROCK2PTGESPTGS2TSHRSMPD3
SCHEMBL2850059 0.94 ALDH1A1 (0.40) ROCK2PTGESPTGS2TSHRSMPD3
SCHEMBL2851749 0.93 OPRK1 (0.43) ROCK2PTGESPTGS2TSHRSMPD3
SCHEMBL2851747 0.93 OPRK1 (0.43) ROCK2PTGESPTGS2TSHRSMPD3
SCHEMBL2855506 0.92 ROCK2 (0.39) ROCK2PTGESPTGS2TSHRSMPD3
SCHEMBL2855509 0.92 ROCK2 (0.39) ROCK2PTGESPTGS2TSHRSMPD3
SCHEMBL16390724 0.92 ROCK2 (0.39) ROCK2PTGESPTGS2TSHRSMPD3
SCHEMBL2843235 0.89 TSHR (0.40) ROCK2PTGESPTGS2TSHRSMPD3
SCHEMBL2843233 0.89 TSHR (0.40) ROCK2PTGESPTGS2TSHRSMPD3

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 ROCK2 1052/4885PTGES 1324/4885PTGS2 1472/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ROCK2 1755/4885PTGES 1313/4885PTGS2 891/4885

“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.