SCHEMBL785548

SCHEMBL785548

C1CNCC2(C1)CNCCO2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.35
SLC6A4 P31645 10/20 0.35
SLC6A3 Q01959 10/20 0.35
NAMPT P43490 3/20 0.34

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
SCHEMBL16878495 0.93 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3NAMPT
SCHEMBL18785080 0.89 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3NAMPT
SCHEMBL12835660 0.88
SCHEMBL459200 0.88 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL15958468 0.88
SCHEMBL15958465 0.88
SCHEMBL8775578 0.88
Hydrochloric Acid SCHEMBL25372221 0.86 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3NAMPT
Hydrochloric Acid SCHEMBL17667895 0.86 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL346358 0.86 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20220289753-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-09-15 US disclosed
EP-4010335-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-06-15 EP disclosed
WO-2021028362-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2021-02-18 WO disclosed
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 disclosed
US-20160326157-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-10 US disclosed
EP-2847191-B1 SUBSTITUTED 6-(4-HYDROXY-PHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE DERIVATIVES AS KINASE INHIBITORS SANOFI SA (FR) 2016-06-15 EP disclosed
EP-2847191-B1 SUBSTITUTED 6-(4-HYDROXY-PHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE DERIVATIVES AS KINASE INHIBITORS SANOFI SA (FR) 2016-06-15 EP disclosed
EP-2771340-B1 6-(4-HYDROXY-PHENYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI SA (FR) 2016-04-13 EP disclosed
US-20080009495-A1 Compound Containing Basic Group and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-10 US disclosed
EP-1852432-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 EP disclosed
EP-1790639-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP disclosed
EP-1790639-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP disclosed
WO-2007039177-A2 PHENYL- AND PYRIDINYL- 1, 2 , 4 - OXADIAZOLONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
WO-2007039171-A1 4-OXY-N-[1 ,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
WO-2007039178-A2 PHENYL-[1,2,4]-OXADIAZOL-5-ONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
WO-2007039172-A1 PHENYL- AND PYRIDYL-I, 2 , 4 -OXADIAZOLONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO 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 (3 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-20160326157-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE MGAM, BPGM, MRPL21 SLC6A2 4309/4885SLC6A4 4779/4885SLC6A3 4707/4885
US-20220289753-A1 SHP2 INHIBITORS PTPN1, PTPN2, PTPN7 SLC6A2 4797/4885SLC6A4 4770/4885SLC6A3 4684/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 SLC6A2 419/4885SLC6A4 609/4885SLC6A3 414/4885

“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.