SCHEMBL2844764

SCHEMBL2844764

COC(=O)c1cc(N2CC[C@@H](N)[C@@H](OC)C2)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.44
DPP4 P27487 5/20 0.43
SIRT6 Q8N6T7 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
NOTUM Q6P988 1/20 0.38
GAA P10253 1/20 0.37
ACACB O00763 1/20 0.37
HRH3 Q9Y5N1 2/20 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
SCHEMBL2844763 1.00 OPRK1 (0.44) OPRK1DPP4SIRT6ALDH1A1MAPT
SCHEMBL2851597 0.87 ALDH1A1 (0.44) OPRK1DPP4SIRT6ALDH1A1MAPT
SCHEMBL2845256 0.87 DPP4 (0.49) OPRK1DPP4SIRT6ALDH1A1MAPT
SCHEMBL2851594 0.87 ALDH1A1 (0.44) OPRK1DPP4SIRT6ALDH1A1MAPT
SCHEMBL2845254 0.87 DPP4 (0.49) OPRK1DPP4SIRT6ALDH1A1MAPT
SCHEMBL2850688 0.84 OPRK1 (0.41) OPRK1DPP4SIRT6ALDH1A1MAPT
SCHEMBL2850685 0.84 OPRK1 (0.41) OPRK1DPP4SIRT6ALDH1A1MAPT
SCHEMBL2847138 0.82 OPRK1 (0.47) OPRK1
SCHEMBL2847140 0.82 OPRK1 (0.47) OPRK1
SCHEMBL2848416 0.80 GAA (0.46) ALDH1A1MAPTALOX15KDM4ENPC1

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 OPRK1 3394/4885DPP4 181/4885SIRT6 468/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A OPRK1 3443/4885DPP4 82/4885SIRT6 284/4885

“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.