SCHEMBL2851281

SCHEMBL2851281

COC(=O)c1ccc(N2CC[C@@H](N)[C@@H](OC)C2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
OPRK1 P41145 2/20 0.36
PIM1 P11309 8/20 0.36
TMPRSS15 P98073 2/20 0.36
ABCC2 Q92887 1/20 0.36
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCQ Q04759 1/20 0.35
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL2851279 1.00 NPSR1 (0.37) NPSR1LMNAPPARGNCOA2NCOA1
Hydrochloric Acid SCHEMBL3282609 0.81 NPSR1 (0.41) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL2852980 0.79 OPRK1 (0.42) OPRK1ABCC2HPGDKDM4ENPC1
SCHEMBL13248235 0.79 HRH3 (0.51) OPRK1TMPRSS15ABCC2
SCHEMBL2846254 0.79 OPRK1 (0.38) OPRK1PIM1ABCC2HPGDKDM4E
SCHEMBL2852981 0.79 OPRK1 (0.42) OPRK1ABCC2HPGDKDM4ENPC1
SCHEMBL2846250 0.79 OPRK1 (0.38) OPRK1PIM1ABCC2HPGDKDM4E
Hydrochloric Acid SCHEMBL15121852 0.78 HRH3 (0.50) OPRK1TMPRSS15ABCC2
Hydrochloric Acid SCHEMBL3107448 0.78 HRH3 (0.50) OPRK1TMPRSS15ABCC2
SCHEMBL2849029 0.74 CPB1 (0.44) ABCC2ALDH1A1TSHR

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 NPSR1 4875/4885LMNA 948/4885PPARG 2052/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A NPSR1 4836/4885LMNA 1119/4885PPARG 2748/4885

“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.