Sugi Predict

Sugi Predict / Compounds / SCHEMBL1769006

SCHEMBL1769006

SCHEMBL1769006

c1ccc(OC2CN(C(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 3/20 0.46
▸ SLC6A2 P23975 2/20 0.46
▸ PDE9A O76083 1/20 0.45
▸ ACHE P22303 1/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ HRH1 P35367 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ ADRA1D P25100 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43

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
SCHEMBL4311250 0.90 ACHE (0.43) SLC6A3SLC6A2PDE9AACHEMGLL
SCHEMBL518041 0.90 NAAA (0.56) SLC6A3SLC6A2PDE9AACHEHRH1
SCHEMBL10804626 0.89 OPRM1 (0.52) ACHECYP2D6OPRM1L3MBTL1USP2
SCHEMBL10808078 0.89 OPRM1 (0.44) SLC6A3SLC6A2PDE9AACHEHRH1
SCHEMBL9596982 0.89 OPRM1 (0.44) SLC6A3SLC6A2PDE9AACHEHRH1
SCHEMBL795699 0.89 ACHE (0.45) ACHEMEN1KMT2AOPRM1NAAA
SCHEMBL6584924 0.89 CHRM2 (0.49) SLC6A3SLC6A2ACHEHRH1MEN1
SCHEMBL1740319 0.85 SLC6A4 (0.47) SLC6A3SLC6A2PDE9ACYP2D6HTR2C
SCHEMBL1740285 0.85 SLC6A4 (0.47) SLC6A3SLC6A2ACHEMGLLCYP2D6
SCHEMBL9596721 0.85 SLC6A2 (0.47) SLC6A3SLC6A2PDE9AACHEMGLL

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 108 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0131435-B1 PROCESS FOR PREPARING 3-PHENOXY-1-AZETIDINES AND CARBOXAMIDE DERIVATIVES A.H. ROBINS COMPANY, INCORPORATED (US) 1987-10-07 — — EP claimed
US-4594189-A Process for preparing 3-phenoxy-1-azetidines and carboxamide derivatives A. H. ROBINS COMPANY, INC. (US) 1986-06-10 — — US claimed
EP-0131435-A1 Process for preparing 3-phenoxy-1-azetidines and carboxamide derivatives A.H. ROBINS COMPANY, INCORPORATED (US) 1985-01-16 — — EP claimed
US-10918640-B2 Azetidine derivatives VERNALIS (R&D) LTD. (GB) 2021-02-16 — — US disclosed
US-10383871-B2 Azetidine derivatives VERNALIS (R&D) LTD. (GB) 2019-08-20 — — US disclosed
US-10150752-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2018-12-11 — — US disclosed
US-20170196864-A1 Azetidine Derivatives VERNALIS DEVELOPMENT LIMITED (GB) 2017-07-13 — — US disclosed
US-20170196864-A1 Azetidine Derivatives VERNALIS DEVELOPMENT LIMITED (GB) 2017-07-13 — — US disclosed
US-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2017-04-27 — — US disclosed
US-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2017-04-27 — — US disclosed
US-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2017-04-27 — — US disclosed
EP-0102740-B1 N-FORMYL AND N-HYDROXYMETHYL-3-PHENOXY-1-AZETIDINECARBOXAMIDES AND THEIR PREPARATION AND USE A.H. ROBINS COMPANY, INCORPORATED (US) 1986-11-05 — — EP disclosed
EP-0102194-B1 3-PHENOXY-1-AZETIDINECARBOXAMIDES AND THEIR USE AND PREPARATION A.H. ROBINS COMPANY, INCORPORATED (US) 1986-10-22 — — EP disclosed
US-4594189-A Process for preparing 3-phenoxy-1-azetidines and carboxamide derivatives A. H. ROBINS COMPANY, INC. (US) 1986-06-10 — — US disclosed
US-4571393-A ANTICONVULSANT TREATMENT FOR MAMMALS A. H. ROBINS COMPANY, INCORPORATED (US) 1986-02-18 — — US disclosed
US-4505907-A ANTICONVULSANTS A. H. ROBINS COMPANY, INC. (US) 1985-03-19 — — US disclosed
EP-0131435-A1 Process for preparing 3-phenoxy-1-azetidines and carboxamide derivatives A.H. ROBINS COMPANY, INCORPORATED (US) 1985-01-16 — — EP disclosed
EP-0102740-A1 N-formyl and n-hydroxymethyl-3-phenoxy-1-azetidinecarboxamides and their preparation and use A.H. ROBINS COMPANY, INCORPORATED (US) 1984-03-14 — — EP disclosed
EP-0102194-A1 3-Phenoxy-1-azetidinecarboxamides and their use and preparation A.H. ROBINS COMPANY, INCORPORATED (US) 1984-03-07 — — EP disclosed
US-4379151-A 3-Phenoxyazetidines for anorexigenic activity A. H. ROBINS COMPANY, INC. (US) 1983-04-05 — — US 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 (5 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-10918640-B2 Azetidine derivatives FAAH2, FAAH, APEH SLC6A3 869/4885SLC6A2 1145/4885PDE9A 1322/4885
US-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS OXTR, AVPR1B, GNRHR SLC6A3 198/4885SLC6A2 570/4885PDE9A 447/4885
US-20170196864-A1 Azetidine Derivatives FAAH2, FAAH, APEH SLC6A3 869/4885SLC6A2 1145/4885PDE9A 1322/4885
US-10383871-B2 Azetidine derivatives FAAH2, FAAH, APEH SLC6A3 869/4885SLC6A2 1145/4885PDE9A 1322/4885
US-10150752-B2 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR SLC6A3 198/4885SLC6A2 570/4885PDE9A 447/4885

“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.