SCHEMBL2852202

SCHEMBL2852202

CCCOC1CN(c2cccc(C(=O)OC)c2)CCC1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.48
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
CNR1 P21554 1/20 0.39
NOTUM Q6P988 2/20 0.39
TP53 P04637 1/20 0.39
DPP4 P27487 4/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL2852204 1.00 GRM2 (0.48) GRM2MTNR1AMTNR1BALDH1A1NPC1
SCHEMBL2850956 0.92 GRM2 (0.45) GRM2MTNR1AMTNR1BALDH1A1NPC1
SCHEMBL2850955 0.92 GRM2 (0.45) GRM2MTNR1AMTNR1BALDH1A1NPC1
SCHEMBL2848416 0.87 GAA (0.46) GRM2MTNR1AMTNR1BALDH1A1NPC1
SCHEMBL2848417 0.87 GAA (0.46) GRM2MTNR1AMTNR1BALDH1A1NPC1
SCHEMBL2850865 0.81 ALDH1A1 (0.48) MTNR1AMTNR1BALDH1A1KDM4EGAA
SCHEMBL2850870 0.81 ALDH1A1 (0.48) MTNR1AMTNR1BALDH1A1KDM4EGAA
SCHEMBL2852871 0.80 GPR119 (0.41) MTNR1AMTNR1BNOTUMATM
SCHEMBL2852870 0.80 GPR119 (0.41) MTNR1AMTNR1BNOTUMATM
SCHEMBL29040819 0.80 GAA (0.50) GRM2MTNR1AMTNR1BALDH1A1NPC1

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 GRM2 4787/4885MTNR1A 4528/4885MTNR1B 4051/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A GRM2 4783/4885MTNR1A 3994/4885MTNR1B 3410/4885

“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.