SCHEMBL72389

SCHEMBL72389

c1ccc(CC2CNCC[N]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.46
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
TAAR1 Q96RJ0 2/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
POLB P06746 1/20 0.39
LTA4H P09960 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
SCHEMBL12098835 1.00 GBA1 (0.46) GBA1SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL7805384 0.83 HTR3A (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL4436017 0.83 TAAR1 (0.44) TAAR1
SCHEMBL11821505 0.82 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL4161319 0.79 MLNR (0.36)
SCHEMBL9111411 0.79 CYP19A1 (0.43) TAAR1
SCHEMBL2091317 0.77 GBA1 (0.53) GBA1SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL2204874 0.77 SLC6A4 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL6985506 0.77 MEN1 (0.36) TAAR1
SCHEMBL4839660 0.77 REN (0.43) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117298148-A Application of aminodithioformate compound or pharmaceutically acceptable salt thereof in combination with copper ions in preparation of antitumor drugs 北京大学 2023-12-29 CN claimed
WO-2023001268-A1 CHRYSIN DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 深圳枫语生物医药科技有限公司 2023-01-26 WO claimed
US-20220112187-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2022-04-14 US claimed
CN-113773293-A Chrysin derivative and preparation method thereof 深圳枫语生物医药科技有限公司 2021-12-10 CN claimed
CN-113768915-A Application of chrysin derivative in preparation of medicine 深圳枫语生物医药科技有限公司 2021-12-10 CN claimed
EP-3849974-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-07-21 EP claimed
CN-112673007-A Pyrazolopyridine amine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-04-16 CN claimed
CN-110156752-B 2- [ (pyridine-2-ylmethyl) sulfenyl ] -1H-benzimidazole compound and application thereof 沈阳药科大学 2021-03-19 CN claimed
CN-108586335-B 2-hydroxybenzamide-1, 2,3, 4-tetrahydroisoquinoline-O-carbamate compound and preparation method thereof 南阳师范学院 2020-07-03 CN claimed
WO-2020052738-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-03-19 WO claimed
EP-0543919-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES. SEARLE & CO (US) 1993-06-02 EP claimed
WO-1992003131-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES G.D. SEARLE & CO. (US) 1992-03-05 WO claimed
US-4808609-A Amino-(hydroxy)alkoxy-4-phenylpropyl indoles having antiarrythmic activity ROUSSEL UCLAF (FR) 1989-02-28 US claimed
US-4801590-A ANGINA, ANTICANCER, CARDIOVASCULAR DISORDERS, HEADACHES, PSORIASIS, ASTHMA, ANTICOAGULANTS BEIERSDORF AG (DE) 1989-01-31 US claimed
EP-0099802-B1 THIENO(3,2-C) PYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTICAL USE ELF SANOFI (FR) 1987-02-04 EP claimed
EP-0054974-B1 IMIDAZOLYLPROPANOL COMPOUNDS AND THEIR ACID ADDITION SALTS, AND PRODUCTION AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-07-10 EP claimed
EP-0006227-B1 ANTITHROMBOTIC PHARMACEUTICAL PREPARATION CONTAINING 2,2'-DITHIOBIS BENZAMIDE DERIVATIVES AND NEW 2,2'-DITHIOBIS BENZAMIDE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD (JP) 1984-12-27 EP claimed
EP-0080721-A2 Diphenylalkanoamine derivatives, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-06-08 EP claimed
EP-0002066-B1 2-ADAMANTYL HYDRAZINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Teva Pharmaceutical Industries Limited (IL) 1983-05-25 EP claimed
US-4016263-A BACTERICIDES BOEHRINGER INGELHEIM GMBH (DT) 1977-04-05 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20220112187-A1 PYRAZOLOPYRIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, KCNJ1, KCNJ11 GBA1 758/4885SLC6A2 1758/4885SLC6A4 1999/4885

“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.