SCHEMBL2845300

SCHEMBL2845300

COC(=O)c1cccc(N2CCC(N)C(OC)C2)c1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.43
PRKCA P17252 2/20 0.42
PRKCQ Q04759 2/20 0.42
NOTUM Q6P988 2/20 0.41
DPP4 P27487 1/20 0.40
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PIM1 P11309 7/20 0.39
PIM3 Q86V86 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
SIRT1 Q96EB6 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 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
SCHEMBL2845302 1.00 OPRK1 (0.43) OPRK1PRKCAPRKCQNOTUMDPP4
SCHEMBL16390929 0.77 KDM4E (0.47) OPRK1PRKCAPRKCQNOTUMDPP4
SCHEMBL2854794 0.77 KDM4E (0.47) OPRK1PRKCAPRKCQNOTUMDPP4
SCHEMBL2854791 0.77 KDM4E (0.47) OPRK1PRKCAPRKCQNOTUMDPP4
SCHEMBL2851597 0.77 ALDH1A1 (0.44) OPRK1NOTUMDPP4KDM4ENPC1
SCHEMBL2851594 0.77 ALDH1A1 (0.44) OPRK1NOTUMDPP4KDM4ENPC1
SCHEMBL2854650 0.75 CRBN (0.51) PIM1PIM3
SCHEMBL2854646 0.75 CRBN (0.51) PIM1PIM3
SCHEMBL2848417 0.74 GAA (0.46) NOTUMKMT2AKDM4ENPC1ALDH1A1
SCHEMBL2848416 0.74 GAA (0.46) NOTUMKMT2AKDM4ENPC1ALDH1A1

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 3394/4885PRKCA 1449/4885PRKCQ 1173/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A OPRK1 3443/4885PRKCA 1820/4885PRKCQ 1757/4885

“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.