SCHEMBL5456638

SCHEMBL5456638

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.44
OPRM1 P35372 10/20 0.42
OPRL1 P41146 10/20 0.42
OPRK1 P41145 8/20 0.42
DPP4 P27487 1/20 0.41
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
DRD1 P21728 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL4589194 1.00 OPRD1 (0.44) OPRD1OPRM1OPRL1OPRK1DPP4
SCHEMBL5456644 1.00 OPRD1 (0.44) OPRD1OPRM1OPRL1OPRK1DPP4
SCHEMBL9363609 1.00 OPRD1 (0.44) OPRD1OPRM1OPRL1OPRK1DPP4
SCHEMBL9363615 1.00 OPRD1 (0.44) OPRD1OPRM1OPRL1OPRK1DPP4
Hydrochloric Acid SCHEMBL9760915 0.98 OPRD1 (0.43) OPRD1OPRM1OPRL1OPRK1DPP4
Hydrochloric Acid SCHEMBL9760922 0.98 OPRD1 (0.43) OPRD1OPRM1OPRL1OPRK1DPP4
Hydrochloric Acid SCHEMBL9760911 0.98 OPRD1 (0.43) OPRD1OPRM1OPRL1OPRK1DPP4
SCHEMBL5456083 0.82 SLC6A9 (0.45) OPRD1OPRM1OPRL1OPRK1CHRM2
SCHEMBL5454642 0.82 SLC6A9 (0.45) OPRD1OPRM1OPRL1OPRK1CHRM2
SCHEMBL5456087 0.82 SLC6A9 (0.45) OPRD1OPRM1OPRL1OPRK1CHRM2

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 10 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
US-20070066587-A1 Substituted azetidine compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A (ES) 2007-03-22 US disclosed
EP-1718609-A1 SUBSTITUTED AZETIDINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-11-08 EP disclosed
WO-2005077897-A1 SUBSTITUTED AZETIDINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-08-25 WO disclosed
US-20050187208-A1 Substituted Azetidine compounds, their preparation and use as medicaments LABORATORIOS DE DR. ESTEVE S.A. (ES) 2005-08-25 US 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-20070066587-A1 Substituted azetidine compounds, their preparation and use as medicaments AZI2, NISCH, QDPR OPRD1 340/4885OPRM1 829/4885OPRL1 1279/4885
US-20050187208-A1 Substituted Azetidine compounds, their preparation and use as medicaments AZI2, NISCH, QDPR OPRD1 340/4885OPRM1 829/4885OPRL1 1279/4885

“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.