SCHEMBL2850684

SCHEMBL2850684

CC[C@@H]1[C@H](O)CN1C(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.41
SLC6A9 P48067 1/20 0.38
KCNA3 P22001 1/20 0.37
OPRL1 P41146 4/20 0.36
OPRM1 P35372 4/20 0.36
OPRK1 P41145 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
DPP4 P27487 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL2855621 1.00 OPRD1 (0.41) OPRD1SLC6A9KCNA3OPRL1OPRM1
SCHEMBL26906306 1.00 OPRD1 (0.41) OPRD1SLC6A9KCNA3OPRL1OPRM1
SCHEMBL2850689 1.00 OPRD1 (0.41) OPRD1SLC6A9KCNA3OPRL1OPRM1
SCHEMBL27860896 0.85 FUCA1 (0.40) OPRD1OPRL1OPRM1OPRK1GAA
SCHEMBL27935619 0.81 OPRD1 (0.42) OPRD1SLC6A9OPRL1OPRM1OPRK1
SCHEMBL9363243 0.80 DPP4 (0.45) OPRD1SLC6A9OPRL1OPRM1OPRK1
SCHEMBL2852887 0.80 DPP4 (0.45) OPRD1SLC6A9OPRL1OPRM1OPRK1
SCHEMBL2852884 0.80 DPP4 (0.45) OPRD1SLC6A9OPRL1OPRM1OPRK1
SCHEMBL24802139 0.77 OPRD1 (0.44) OPRD1SLC6A9KCNA3OPRL1OPRM1
SCHEMBL2278150 0.77 OPRD1 (0.44) OPRD1SLC6A9KCNA3OPRL1OPRM1

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 OPRD1 4505/4885SLC6A9 2855/4885KCNA3 3977/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A OPRD1 4549/4885SLC6A9 1659/4885KCNA3 4041/4885

“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.