SCHEMBL2824183

SCHEMBL2824183

CO[C@H]1CN(c2cc(C)ncn2)CC[C@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.43
SMPD3 Q9NY59 1/20 0.41
CTSK P43235 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
RET P07949 3/20 0.38
TSHR P16473 1/20 0.38
TACR1 P25103 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
OPRK1 P41145 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
SCHEMBL2850052 0.90 CPB1 (0.43) CPB1SMPD3CTSKCTSLCTSB
SCHEMBL2850049 0.90 CPB1 (0.43) CPB1SMPD3CTSKCTSLCTSB
SCHEMBL2846811 0.89 CPB1 (0.42) CPB1SMPD3CTSKCTSLCTSB
SCHEMBL2846814 0.89 CPB1 (0.42) CPB1SMPD3CTSKCTSLCTSB
SCHEMBL2854421 0.83 PIK3CA (0.42) CPB1SMPD3CTSKCTSLCTSB
SCHEMBL2854420 0.83 PIK3CA (0.42) CPB1SMPD3CTSKCTSLCTSB
SCHEMBL2849340 0.83 OPRK1 (0.46) CPB1SMPD3CTSKCTSLCTSB
SCHEMBL2849338 0.83 OPRK1 (0.46) CPB1SMPD3CTSKCTSLCTSB
SCHEMBL2843226 0.80 SMPD3 (0.43) CPB1SMPD3CTSKCTSLCTSB
SCHEMBL2843228 0.80 SMPD3 (0.43) CPB1SMPD3CTSKCTSLCTSB

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 CPB1 1454/4885SMPD3 3900/4885CTSK 1636/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A CPB1 474/4885SMPD3 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.