SCHEMBL9634215

SCHEMBL9634215

CNCc1coc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.60
MAOB P27338 4/20 0.50
MAOA P21397 1/20 0.49
PSMB5 P28074 4/20 0.47
PSMB8 P28062 2/20 0.47
KDM4C Q9H3R0 1/20 0.46
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
CYP17A1 P05093 1/20 0.45
CYP19A1 P11511 1/20 0.45
IL4I1 Q96RQ9 1/20 0.44
PTGS2 P35354 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
IFNAR1 P17181 1/20 0.41

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
SCHEMBL10667643 0.83 CA2 (0.51) CA2MAOBMAOAPSMB5PSMB8
SCHEMBL1252407 0.79 CA2 (0.59) CA2MAOBMAOAPSMB5PSMB8
SCHEMBL4068784 0.79 IFNAR1 (0.60) CA2MAOBMAOAIFNAR1
SCHEMBL24106036 0.78 CA2 (0.58) CA2MAOBMAOAPSMB5PSMB8
Hydrochloric Acid SCHEMBL4067559 0.78 IFNAR1 (0.58) CA2MAOBMAOAIFNAR1
SCHEMBL27776938 0.78 CA2 (0.57) CA2MAOBMAOAPSMB5PSMB8
SCHEMBL6511946 0.77 MAOB (0.71) CA2MAOBPSMB5PSMB8KDM4C
SCHEMBL25029940 0.77 PSMB5 (0.51) CA2MAOBPSMB5PSMB8
SCHEMBL21376276 0.77 PSMB5 (0.58) CA2MAOBMAOAPSMB5PSMB8
SCHEMBL25029942 0.77 PSMB5 (0.51) CA2MAOBPSMB5PSMB8

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3546454-B1 BENZOHETEROCYCLYL ALKYLAMINE COMPOUND AND USE THEREOF UNIV EAST CHINA SCIENCE & TECH (CN) 2023-09-27 EP disclosed
US-10829464-B2 Benzoheterocyclic alkylamine compounds and use thereof EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-11-10 US disclosed
US-10829464-B2 Benzoheterocyclic alkylamine compounds and use thereof EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-11-10 US disclosed
CN-108084125-B Benzoheterocyclylalkylamines and their use 华东理工大学 2020-08-18 CN disclosed
US-20190315703-A1 BENZOHETEROCYCLIC ALKYLAMINE COMPOUNDS AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-10-17 US disclosed
US-20190315703-A1 BENZOHETEROCYCLIC ALKYLAMINE COMPOUNDS AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-10-17 US disclosed
EP-3546454-A1 BENZOHETEROCYCLYL ALKYLAMINE COMPOUND AND USE THEREOF East China University of Science and Technology (CN) 2019-10-02 EP disclosed
EP-3546454-A1 BENZOHETEROCYCLYL ALKYLAMINE COMPOUND AND USE THEREOF East China University of Science and Technology (CN) 2019-10-02 EP disclosed
WO-2018095287-A1 BENZOHETEROCYCLYL ALKYLAMINE COMPOUND AND USE THEREOF 华东理工大学 2018-05-31 WO disclosed
US-5132459-A Fungicides SANDOZ LTD. (CH) 1992-07-21 US disclosed
US-4755534-A Propenylamines, pharmaceutical compositions containing them and their use as pharmaceuticals SANDOZ LTD. (CH) 1988-07-05 US disclosed
EP-0024587-A1 Propenylamines, processes for their production, pharmaceutical compositions containing them and their use as pharmaceuticals SANDOZ AG (CH) 1981-03-11 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-10829464-B2 Benzoheterocyclic alkylamine compounds and use thereof AADAC, AAAS, NISCH CA2 4489/4885MAOB 370/4885MAOA 307/4885
US-20190315703-A1 BENZOHETEROCYCLIC ALKYLAMINE COMPOUNDS AND USE THEREOF AADAC, AAAS, NISCH CA2 4489/4885MAOB 370/4885MAOA 307/4885

“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.