SCHEMBL2849338

SCHEMBL2849338

CCOC(=O)c1cc(N2CCC(NC(=O)OCc3ccccc3)C(OC)C2)ncc1C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.46
RET P07949 4/20 0.41
CPB1 P15086 1/20 0.40
MAPT P10636 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
ROCK2 O75116 1/20 0.38
SMPD3 Q9NY59 1/20 0.37
PRMT5 O14744 1/20 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
SCHEMBL2849340 1.00 OPRK1 (0.46) OPRK1RETCPB1MAPTCTSL
SCHEMBL2824183 0.83 CPB1 (0.43) OPRK1RETCPB1CTSLCTSB
SCHEMBL2846811 0.81 CPB1 (0.42) OPRK1RETCPB1CTSLCTSB
SCHEMBL2846814 0.81 CPB1 (0.42) OPRK1RETCPB1CTSLCTSB
SCHEMBL2855237 0.81 DPP4 (0.43) OPRK1CPB1CTSLCTSBCTSK
SCHEMBL2855238 0.81 DPP4 (0.43) OPRK1CPB1CTSLCTSBCTSK
SCHEMBL2850049 0.80 CPB1 (0.43) RETCPB1CTSLCTSBCTSK
SCHEMBL2844131 0.80 CPB1 (0.43) OPRK1CPB1CTSLCTSBCTSK
SCHEMBL2850052 0.80 CPB1 (0.43) RETCPB1CTSLCTSBCTSK
SCHEMBL2844135 0.80 CPB1 (0.43) OPRK1CPB1CTSLCTSBCTSK

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 3394/4885RET 3963/4885CPB1 1454/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A OPRK1 3443/4885RET 4103/4885CPB1 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.