SCHEMBL1273994

SCHEMBL1273994

O=C1c2ccccc2C(=O)N1CC(=CF)CBr

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
GSK3B P49841 1/20 0.50
ALDH1A1 P00352 5/20 0.49
NPSR1 Q6W5P4 2/20 0.48
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 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
SCHEMBL30226782 1.00 CA12 (0.51) CA12CA9GSK3BALDH1A1NPSR1
SCHEMBL1273992 1.00 CA12 (0.51) CA12CA9GSK3BALDH1A1NPSR1
SCHEMBL30226990 1.00 CA12 (0.51) CA12CA9GSK3BALDH1A1NPSR1
SCHEMBL9659771 1.00 CA12 (0.51) CA12CA9GSK3BALDH1A1NPSR1
SCHEMBL1274668 0.83 CA12 (0.51) CA12CA9GSK3BALDH1A1NPSR1
SCHEMBL22216426 0.83 CA12 (0.51) CA12CA9GSK3BALDH1A1NPSR1
SCHEMBL22216274 0.83 CA12 (0.51) CA12CA9GSK3BALDH1A1NPSR1
SCHEMBL22216369 0.83 ALDH1A1 (0.53) CA12CA9GSK3BALDH1A1NPSR1
SCHEMBL12934074 0.83 CA12 (0.51) CA12CA9GSK3BALDH1A1NPSR1
SCHEMBL1274667 0.83 CA12 (0.51) CA12CA9GSK3BALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12371432-B2 Haloallylamine compounds and application thereof TRANSTHERA SCIENCES (NANJING), INC. (CN) 2025-07-29 US disclosed
EP-3892621-B1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF TRANSTHERA SCIENCES NANJING INC (CN) 2024-09-18 EP disclosed
CN-111471037-B Allylamine compound and application thereof 药捷安康(南京)科技股份有限公司 2023-02-10 CN disclosed
CN-111434662-B Haloallylamine compound and application thereof 药捷安康(南京)科技股份有限公司 2023-01-10 CN disclosed
US-20220081439-A1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF TransThera Sciences (Nanjing), Inc (CN) 2022-03-17 US disclosed
EP-3892621-A1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-10-13 EP disclosed
CN-111471037-A Allylamine compound and application thereof 南京药捷安康生物科技有限公司 2020-07-31 CN disclosed
CN-111434662-A Haloallylamine compound and application thereof 南京药捷安康生物科技有限公司 2020-07-21 CN disclosed
WO-2020143763-A1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF 南京药捷安康生物科技有限公司 2020-07-16 WO disclosed
US-20120172392-A1 AMINE-BASED AND AMIDE-BASED INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME ACTIVITY AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES SALTER-CID LUISA M (US) 2012-07-05 US disclosed
EP-1732531-A2 AMINES AND AMIDES FOR THE TREATMENT OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2006-12-20 EP disclosed
US-20060025438-A1 Amine-based and amide-based inhibitors of semicarbazide-sensitive amine oxidase (SSAO) enzyne activity and VAP-1 mediated adhesion useful for treatment of diseases LA JOLLA PHARMACEUTICAL COMPANY 2006-02-02 US disclosed
WO-2005082343-A2 AMINES AND AMIDES FOR THE TREATMENT OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2005-09-09 WO disclosed
EP-0224924-B1 NON-AROMATIC FLUORALLYLAMINE MAO INHIBITORS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-01-22 EP disclosed
US-4916151-A ADMINISTERING FLUOROALLYLAMINE, L-DOPA AND DICARBOXYLASE INHIBITOR MERRELL DOW PHARMACEUTICALS INC. (US) 1990-04-10 US disclosed
EP-0168013-B1 FLUOROALLYLAMINE DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1988-03-02 EP disclosed
US-4699928-A ANTIDEPRESSANTS, TREATMENT OF PARKINSON'S DISEASE MERRELL DOW PHARMACEUTICALS INC. (US) 1987-10-13 US disclosed
EP-0224924-A2 Non-aromatic fluorallylamine MAO inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1987-06-10 EP disclosed
US-4650907-A MONOAMINE OXIDASE, ANTIDEPRESSANTS MERRELL DOW PHARMACEUTICALS INC. (US) 1987-03-17 US disclosed
EP-0168013-A1 Fluoroallylamine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1986-01-15 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 (4 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-12371432-B2 Haloallylamine compounds and application thereof ADRA1D, ADRA1A, VAPA CA12 4511/4885CA9 4399/4885GSK3B 3181/4885
US-20220081439-A1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF ADRA1D, ADRA1A, VAPA CA12 4511/4885CA9 4399/4885GSK3B 3181/4885
US-20120172392-A1 AMINE-BASED AND AMIDE-BASED INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) ENZYME ACTIVITY AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES VCAM1, AOC2, AOC1 CA12 4019/4885CA9 3011/4885GSK3B 4620/4885
US-20060025438-A1 Amine-based and amide-based inhibitors of semicarbazide-sensitive amine oxidase (SSAO) enzyne activity and VAP-1 mediated adhesion useful for treatment of diseases VCAM1, AOC3, AOC2 CA12 4419/4885CA9 4423/4885GSK3B 4521/4885

“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.