Sugi Predict

Sugi Predict / Compounds / SCHEMBL400964

SCHEMBL400964

SCHEMBL400964

c1ccc2c(c1)CNCCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 1/20 0.64
▸ MAOB P27338 2/20 0.48
▸ CD44 P16070 2/20 0.48
▸ PNMT P11086 1/20 0.48
▸ ITGB2 P05107 1/20 0.46
▸ ICAM1 P05362 1/20 0.46
▸ ITGAL P20701 1/20 0.46
▸ KEAP1 Q14145 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ CRHBP P24387 2/20 0.41
▸ CRHR2 Q13324 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RYR2 Q92736 1/20 0.41
▸ ACHE P22303 1/20 0.39
▸ HTR2C P28335 1/20 0.38
▸ MAOA P21397 1/20 0.37

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
SCHEMBL17969055 1.00 OXTR (0.64) OXTRMAOBCD44PNMTITGB2
Hydrochloric Acid SCHEMBL2106873 0.98 OXTR (0.62) OXTRMAOBCD44PNMTITGB2
Water SCHEMBL15638338 0.98 OXTR (0.62) OXTRMAOBCD44PNMTITGB2
SCHEMBL9170678 0.90 OXTR (0.62) OXTRMAOBCD44PNMTITGB2
SCHEMBL4501612 0.88 OXTR (0.60) OXTRMAOBCD44PNMTITGB2
SCHEMBL7534125 0.88 OXTR (0.60) OXTRMAOBCD44PNMTITGB2
Indoline SCHEMBL7252380 0.85 OXTR (0.49) OXTRMAOBCD44PNMTITGB2
SCHEMBL11701763 0.80 ITGB2 (0.65) OXTRITGB2ICAM1ITGALKEAP1
SCHEMBL7495682 0.80 ITGB2 (0.65) OXTRITGB2ICAM1ITGALKEAP1
SCHEMBL31050989 0.80 ITGB2 (0.65) OXTRITGB2ICAM1ITGALKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 — — CN claimed
US-20220289753-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-09-15 — — US claimed
EP-4010335-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-06-15 — — EP claimed
WO-2021028362-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2021-02-18 — — WO claimed
EP-3772513-A1 SHP2 INHIBITORS C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) 2021-02-10 — — EP claimed
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 — — US claimed
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-04 — — US claimed
WO-2017060854-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 — — WO claimed
US-8247403-B2 Benzoxazepine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 — — US claimed
US-20100143322-A1 USE OF INHIBITORS OF N-METHYL TRANSFERASES FOR THE THERAPY OF PARKINSON'S DISEASE PLT PATENT & LICENCE TRADING LTD., C/O THE B-NET (GB) 2010-06-10 — — US claimed
US-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-04-08 — — US claimed
EP-2123644-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-11-25 — — EP claimed
US-20260109699-A1 AZOLE DERIVATIVES AS SHP2 INHIBITORS IRBM S.P.A. (IT) 2026-04-23 — — US disclosed
EP-4660181-A1 NAV1.7- AND/OR NAV1.8-INHIBITING HYDRAZIDES, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS Eurofarma Laboratórios S.A. (BR) 2025-12-10 — — EP disclosed
US-20250320213-A1 Nitrogen-Containing Heterocyclic Compounds PFIZER INC. (US) 2025-10-16 — — US disclosed
EP-4594324-A1 AZOLE DERIVATIVES AS SHP2 INHIBITORS IRBM S.P.A. (IT) 2025-08-06 — — EP disclosed
EP-0846115-A1 NEW CYCLIC GUANIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS Roche Diagnostics GmbH (DE) 1998-06-10 — — EP disclosed
WO-1997008165-A1 NEW CYCLIC GUANIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS BOEHRINGER MANNHEIM GMBH (DE) 1997-03-06 — — WO disclosed
EP-0567090-A2 Benzoxazepine derivatives as cholinesterase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-27 — — EP disclosed
US-4125538-A ANALGESIC, ANTITUSSIVE BRISTOL-MYERS COMPANY (US) 1978-11-14 — — 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 (6 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-20260109699-A1 AZOLE DERIVATIVES AS SHP2 INHIBITORS PTPN1, PTPN5, PTPN3 OXTR 2706/4885MAOB 4314/4885CD44 2972/4885
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators NFE2L2, KEAP1, NQO1 OXTR 4184/4885MAOB 1021/4885CD44 4688/4885
US-20220289753-A1 SHP2 INHIBITORS PTPN1, PTPN2, PTPN7 OXTR 4673/4885MAOB 4682/4885CD44 1736/4885
US-20250320213-A1 Nitrogen-Containing Heterocyclic Compounds HRH4, HNMT, NNT OXTR 2748/4885MAOB 792/4885CD44 798/4885
US-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF HTR2C, HTR5A, HTR2B OXTR 39/4885MAOB 360/4885CD44 4303/4885
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, KEAP1, NQO1 OXTR 4184/4885MAOB 1021/4885CD44 4688/4885

“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.