SCHEMBL2842873

SCHEMBL2842873

CCO[C@H]1CN(c2cccc(C(=O)OC)c2)CC[C@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.42
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
VCP P55072 1/20 0.39
TACR1 P25103 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
GRM2 Q14416 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ACHE P22303 1/20 0.37
HTR7 P34969 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
SCHEMBL2842870 1.00 CPB1 (0.42) CPB1CTSLCTSBCTSKVCP
SCHEMBL2847957 0.93 CPB1 (0.41) CPB1CTSLCTSBCTSKVCP
SCHEMBL2847960 0.93 CPB1 (0.41) CPB1CTSLCTSBCTSKVCP
SCHEMBL2850786 0.93 CPB1 (0.41) CPB1CTSLCTSBCTSKVCP
SCHEMBL2850791 0.93 CPB1 (0.41) CPB1CTSLCTSBCTSKVCP
SCHEMBL2849059 0.92 CPB1 (0.44) CPB1CTSLCTSBCTSKVCP
SCHEMBL2849061 0.92 CPB1 (0.44) CPB1CTSLCTSBCTSKVCP
SCHEMBL2844466 0.92 TACR1 (0.38) CPB1CTSLCTSBCTSKVCP
SCHEMBL2844464 0.92 TACR1 (0.38) CPB1CTSLCTSBCTSKVCP
SCHEMBL2848474 0.85 CPB1 (0.45) CPB1CTSLCTSBCTSKVCP

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 4 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-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 (1 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 1454/4885CTSL 1737/4885CTSB 683/4885

“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.