SCHEMBL346006

SCHEMBL346006

COC(=O)c1coc(CBr)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 5/20 0.42
DAGLA Q9Y4D2 1/20 0.42
KCNH2 Q12809 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
GSK3B P49841 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
FBP1 P09467 1/20 0.36
MAPK1 P28482 2/20 0.35

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
SCHEMBL16130104 0.84 DAGLA (0.43) CACNA1GDAGLAKCNH2SLC6A2SLC6A4
SCHEMBL2116168 0.84 DAGLA (0.43) CACNA1GDAGLAKCNH2SLC6A2SLC6A4
SCHEMBL2070116 0.83 CYP1A2 (0.49) NPSR1MAPTFBP1
SCHEMBL393999 0.83 DAGLA (0.42) CACNA1GDAGLAKCNH2SLC6A2SLC6A4
SCHEMBL2172653 0.83 DAGLA (0.42) CACNA1GDAGLAKCNH2SLC6A2SLC6A4
SCHEMBL3436248 0.83 SLC6A2 (0.46) CACNA1GDAGLAKCNH2SLC6A2SLC6A4
SCHEMBL1974766 0.83 DAGLA (0.42) CACNA1GDAGLAKCNH2SLC6A2SLC6A4
SCHEMBL15001329 0.81 SLC6A2 (0.45) CACNA1GDAGLAKCNH2SLC6A2SLC6A4
SCHEMBL16213693 0.80 FPR2 (0.39) DAGLAHRH3
SCHEMBL13141153 0.80 SLC6A2 (0.44) CACNA1GDAGLAKCNH2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4663630-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR LG Chem, Ltd. (KR) 2025-12-17 EP disclosed
WO-2024201308-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR 주식회사 엘지화학 2024-10-03 WO disclosed
US-10280144-B2 Pyridazine derivatives as RORc modulators GENENTECH, INC. (US) 2019-05-07 US disclosed
US-20180072683-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2018-03-15 US disclosed
US-20180072683-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2018-03-15 US disclosed
EP-3292108-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS H. Hoffnabb-La Roche Ag (CH) 2018-03-14 EP disclosed
US-20170114075-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2017-04-27 US disclosed
WO-2016177760-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2016-11-10 WO disclosed
WO-2016177760-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2016-11-10 WO disclosed
US-9458178-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2016-10-04 US disclosed
EP-1273572-B1 Thiophene substituted piperazines useful in the treatment of benign prostatic hyperplasia ORTHO MCNEIL PHARM INC (US) 2004-12-15 EP disclosed
EP-1025085-B1 HETEROCYCLES USEFUL IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA AND INTERMEDIATES THEREOF ORTHO MCNEIL PHARM INC (US) 2003-03-26 EP disclosed
EP-1273572-A1 Thiophene substituted piperazines useful in the treatment of benign prostatic hyperplasia Ortho-McNeil Pharmaceutical, Inc. (US) 2003-01-08 EP disclosed
US-20020165219-A1 Novel heterocycles useful in the treatment of benign prostatic hyperplasia HUTCHINGS RICHARD H (US) 2002-11-07 US disclosed
US-6384035-B1 TREATING A DISEASE MEDIATED BY THE .ALPHA.-1.SUB.A ADRENERGIC RECEPTOR COMPRISING ADMINISTERING A COMPOUND ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-05-07 US disclosed
WO-2000053589-A1 PROCESS FOR PREPARING OXAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-09-14 WO disclosed
EP-1025085-A1 HETEROCYCLES USEFUL IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA AND INTERMEDIATES THEREOF Ortho-McNeil Pharmaceutical, Inc. (US) 2000-08-09 EP disclosed
EP-1003748-A2 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 2000-05-31 EP disclosed
WO-1999019299-A1 HETEROCYCLES USEFUL IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA AND INTERMEDIATES THEREOF ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-04-22 WO disclosed
WO-1999012933-A2 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 1999-03-18 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 (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-20170114075-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 CACNA1G 70/4885DAGLA 4797/4885KCNH2 324/4885
US-20180072683-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS RORC, RORA, RORB CACNA1G 3402/4885DAGLA 4809/4885KCNH2 2008/4885
US-10280144-B2 Pyridazine derivatives as RORc modulators RORC, RORB, RORA CACNA1G 3361/4885DAGLA 4814/4885KCNH2 1970/4885
US-20020165219-A1 Novel heterocycles useful in the treatment of benign prostatic hyperplasia ADRA1A, ADRB1, ADRA1D CACNA1G 1017/4885DAGLA 4344/4885KCNH2 1103/4885

“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.