SCHEMBL2852884

SCHEMBL2852884

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.45
OPRD1 P41143 8/20 0.41
OPRM1 P35372 8/20 0.39
OPRK1 P41145 7/20 0.39
OPRL1 P41146 7/20 0.39
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 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
CHRM3 P20309 1/20 0.36
DRD1 P21728 1/20 0.36
ADRA1D P25100 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
SCHEMBL9363243 1.00 DPP4 (0.45) DPP4OPRD1OPRM1OPRK1OPRL1
SCHEMBL2852887 1.00 DPP4 (0.45) DPP4OPRD1OPRM1OPRK1OPRL1
SCHEMBL27935619 0.81 OPRD1 (0.42) DPP4OPRD1OPRM1OPRK1OPRL1
SCHEMBL26906306 0.80 OPRD1 (0.41) DPP4OPRD1OPRM1OPRK1OPRL1
SCHEMBL2855621 0.80 OPRD1 (0.41) DPP4OPRD1OPRM1OPRK1OPRL1
SCHEMBL2850684 0.80 OPRD1 (0.41) DPP4OPRD1OPRM1OPRK1OPRL1
SCHEMBL2850689 0.80 OPRD1 (0.41) DPP4OPRD1OPRM1OPRK1OPRL1
SCHEMBL9363615 0.77 OPRD1 (0.44) DPP4OPRD1OPRM1OPRK1OPRL1
SCHEMBL4589194 0.77 OPRD1 (0.44) DPP4OPRD1OPRM1OPRK1OPRL1
SCHEMBL5456638 0.77 OPRD1 (0.44) DPP4OPRD1OPRM1OPRK1OPRL1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0406112-B1 1-Benzhydrylazetidines, their preparation and their use as intermediates for the preparation of compounds with antimicrobial activity ESTEVE LABOR DR (ES) 1994-12-28 EP claimed
US-5073646-A Chemical intermediates, microbiocides LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1991-12-17 US claimed
EP-0406112-A1 1-Benzhydrylazetidines, their preparation and their use as intermediates for the preparation of compounds with antimicrobial activity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1991-01-02 EP claimed
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
EP-0406112-B1 1-Benzhydrylazetidines, their preparation and their use as intermediates for the preparation of compounds with antimicrobial activity ESTEVE LABOR DR (ES) 1994-12-28 EP disclosed
US-5073646-A Chemical intermediates, microbiocides LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1991-12-17 US disclosed
EP-0406112-A1 1-Benzhydrylazetidines, their preparation and their use as intermediates for the preparation of compounds with antimicrobial activity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1991-01-02 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 181/4885OPRD1 4505/4885OPRM1 3812/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A DPP4 82/4885OPRD1 4549/4885OPRM1 4064/4885

“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.