SCHEMBL2852980

SCHEMBL2852980

COC(=O)c1cc(N2CCC(N)C(OC)C2)sc1C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 14/20 0.42
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
REV1 Q9UBZ9 1/20 0.35
ABCC2 Q92887 1/20 0.35

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
SCHEMBL2852981 1.00 OPRK1 (0.42) OPRK1KDM4ENPC1ALDH1A1MAPT
SCHEMBL13787573 0.89 ABCC2 (0.35) OPRK1ABCC2
SCHEMBL2846254 0.84 OPRK1 (0.38) OPRK1KDM4ENPC1ALDH1A1MAPT
SCHEMBL2846250 0.84 OPRK1 (0.38) OPRK1KDM4ENPC1ALDH1A1MAPT
SCHEMBL2851281 0.79 NPSR1 (0.37) OPRK1KDM4ENPC1ALDH1A1MAPT
SCHEMBL2851279 0.79 NPSR1 (0.37) OPRK1KDM4ENPC1ALDH1A1MAPT
SCHEMBL2844763 0.77 OPRK1 (0.44) OPRK1KDM4ENPC1ALDH1A1MAPT
SCHEMBL2844764 0.77 OPRK1 (0.44) OPRK1KDM4ENPC1ALDH1A1MAPT
SCHEMBL2847138 0.75 OPRK1 (0.47) OPRK1
SCHEMBL2847140 0.75 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 OPRK1 3394/4885KDM4E 206/4885NPC1 1573/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A OPRK1 3443/4885KDM4E 211/4885NPC1 630/4885

“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.