SCHEMBL2848600

SCHEMBL2848600

COC(=O)c1cc(OC)cc(N2CC[C@@H](N)[C@@H](OC)C2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
OPRK1 P41145 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
RET P07949 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ALOX15 P16050 2/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL2848597 1.00 DPP4 (0.41) DPP4KDM4EALDH1A1MAPTNPC1
SCHEMBL2847412 0.86 KDM4E (0.38) KDM4EALDH1A1MAPTNPC1HPGD
SCHEMBL2847413 0.86 KDM4E (0.38) KDM4EALDH1A1MAPTNPC1HPGD
SCHEMBL2848416 0.85 GAA (0.46) KDM4EALDH1A1MAPTNPC1HPGD
SCHEMBL2848417 0.85 GAA (0.46) KDM4EALDH1A1MAPTNPC1HPGD
SCHEMBL2845256 0.78 DPP4 (0.49) DPP4KDM4EALDH1A1MAPTNPC1
SCHEMBL2845254 0.78 DPP4 (0.49) DPP4KDM4EALDH1A1MAPTNPC1
SCHEMBL2850783 0.77 OPRK1 (0.38) DPP4KDM4EALDH1A1OPRK1L3MBTL1
SCHEMBL2850788 0.77 OPRK1 (0.38) DPP4KDM4EALDH1A1OPRK1L3MBTL1
SCHEMBL2844763 0.77 OPRK1 (0.44) DPP4KDM4EALDH1A1MAPTNPC1

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 DPP4 181/4885KDM4E 206/4885ALDH1A1 3596/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A DPP4 82/4885KDM4E 211/4885ALDH1A1 1220/4885

“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.