SCHEMBL2845398

SCHEMBL2845398

CC(C)COC1CN(C(=O)O)CCC1N

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CTSC P53634 1/20 0.39
CTSF Q9UBX1 1/20 0.39
RAB9A P51151 1/20 0.35
DPP4 P27487 5/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
DPP7 Q9UHL4 1/20 0.32
HSD11B1 P28845 1/20 0.32
POLB P06746 1/20 0.31
OPRK1 P41145 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31

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
SCHEMBL2845392 1.00 CTSV (0.39) CTSVCTSLCTSBCTSSCTSK
Hydrochloric Acid SCHEMBL15121786 0.89 MAPT (0.31) DPP4DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL3118275 0.86 DPP4 (0.32) DPP4DPP8DPP9DPP7
SCHEMBL2848032 0.83 GAA (0.38) DPP4DPP8DPP9DPP7
SCHEMBL2848035 0.83 GAA (0.38) DPP4DPP8DPP9DPP7
SCHEMBL2846554 0.82 ALDH1A1 (0.40) RAB9ADPP4
SCHEMBL2846551 0.82 ALDH1A1 (0.40) RAB9ADPP4
SCHEMBL2848304 0.81 TAAR1 (0.35) RAB9ADPP4DPP8DPP9DPP7
SCHEMBL2848301 0.81 TAAR1 (0.35) RAB9ADPP4DPP8DPP9DPP7
SCHEMBL27916934 0.80 DPP4 (0.31) DPP4DPP8DPP9DPP7HSD11B1

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 7 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
CN-101959882-B Imidazole carbonyl compound DAIICHI SANKYO CO LTD 2013-09-11 CN 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 CTSV 1512/4885CTSL 1737/4885CTSB 683/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A CTSV 1436/4885CTSL 1294/4885CTSB 514/4885

“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.