SCHEMBL2845256

SCHEMBL2845256

COC(=O)c1cc(N2CC[C@@H](N)[C@@H](OC)C2)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.49
OPRK1 P41145 7/20 0.43
SIRT6 Q8N6T7 1/20 0.38
ACACB O00763 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
GFER P55789 1/20 0.37
MCL1 Q07820 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL2845254 1.00 DPP4 (0.49) DPP4OPRK1SIRT6ACACBMEN1
SCHEMBL2844763 0.87 OPRK1 (0.44) DPP4OPRK1SIRT6ACACBKDM4E
SCHEMBL2844764 0.87 OPRK1 (0.44) DPP4OPRK1SIRT6ACACBKDM4E
SCHEMBL2851594 0.86 ALDH1A1 (0.44) DPP4OPRK1SIRT6ACACBKDM4E
SCHEMBL2851597 0.86 ALDH1A1 (0.44) DPP4OPRK1SIRT6ACACBKDM4E
SCHEMBL2850688 0.84 OPRK1 (0.41) DPP4OPRK1SIRT6MEN1KMT2A
SCHEMBL2850685 0.84 OPRK1 (0.41) DPP4OPRK1SIRT6MEN1KMT2A
SCHEMBL2848416 0.79 GAA (0.46) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL2848417 0.79 GAA (0.46) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL2847138 0.79 OPRK1 (0.47) OPRK1

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