SCHEMBL913383

SCHEMBL913383

O=C(O)C1=Cc2ccccc2OCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
MAPT P10636 4/20 0.43
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
GAA P10253 2/20 0.41
MAOB P27338 4/20 0.41
KDM4E B2RXH2 4/20 0.41
MAOA P21397 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 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
SCHEMBL913983 0.85 SMN1; SMN2 (0.49) ALOX5SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL919529 0.85 ALOX5 (0.48) ALOX5SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL212724 0.82 ALOX5 (0.64) ALOX5SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL16397645 0.82 ALOX5 (0.64) ALOX5SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL914240 0.81 CA12 (0.59) ALOX5SMN1; SMN2NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL23532714 0.81 ALOX5 (0.62) ALOX5SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL27648673 0.81 ALOX5 (0.62) ALOX5SMN1; SMN2NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL5770308 0.81 ALOX5 (0.62) ALOX5SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6755749 0.79 ALOX5 (0.43) ALOX5NPC1RAB9AKMT2AMEN1
SCHEMBL7216396 0.78 GRM5 (0.51) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247587-B1 5-OXO-2, 3,4,5-TETRAHYDRO-BENZO[B]OXEPINE-4-CARBOXYLIC ACID AMIDES AND 2,3-DIHYDRO-BENZO[B]OXEPINE-4-CARBOXYLIC ACID AMIDES FOR TREATMENT AND PREVENTION OF DIABETES TYP 1 AND 2 MERCK PATENT GMBH (DE) 2014-03-26 EP disclosed
US-8383838-B2 5-oxo-2,3,4,5-tetrahydro-benzo[b]oxepine-4-carboxylic acid amides and 2,3-dihydro-benzo[b]oxepine-4-carboxylic acid amides for treatment and prevention of diabetes typ 1 and 2 MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-02-26 US disclosed
US-20110052562-A1 BENZIMIDAZOLES AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-03-03 US disclosed
US-20110052562-A1 BENZIMIDAZOLES AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-03-03 US disclosed
US-20110009455-A1 5-Oxo-2,3,4,5-tetrahydro-benzo[b]oxepine-4-carboxylic acid amides and 2,3-Dihydro-benzo[b]oxepine-4-carboxylic acid amides for treatment and prevention of Diabetes Typ 1 and 2 MERCK PATENT GESELLSCHAFT (DE) 2011-01-13 US disclosed
EP-2247587-A1 5-OXO-2, 3,4,5-TETRAHYDRO-BENZO[B]OXEPINE-4-CARBOXYLIC ACID AMIDES AND 2,3-DIHYDRO-BENZO[B]OXEPINE-4-CARBOXYLIC ACID AMIDES FOR TREATMENT AND PREVENTION OF DIABETES TYP 1 AND 2 Merck Patent GmbH (DE) 2010-11-10 EP disclosed
WO-2009109270-A1 5-OXO-2, 3,4,5-TETRAHYDRO-BENZO[B]OXEPINE-4-CARBOXYLIC ACID AMIDES AND 2,3-DIHYDRO-BENZO[B]OXEPINE-4-CARBOXYLIC ACID AMIDES FOR TREATMENT AND PREVENTION OF DIABETES TYP 1 AND 2 MERCK PATENT GMBH (DE) 2009-09-11 WO disclosed
WO-2009079011-A1 BENZIMIDAZOLES AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-06-25 WO disclosed
EP-1760054-A2 Process for producing cyclic compound Takeda Pharmaceutical Company Limited (JP) 2007-03-07 EP disclosed
US-7038042-B2 Process for producing cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-02 US disclosed
US-20030040632-A1 Process for producing cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-02-27 US disclosed
EP-1266881-A1 PROCESS FOR PRODUCING CYCLIC COMPOUND Takeda Chemical Industries, Ltd. (JP) 2002-12-18 EP disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP disclosed
EP-1140893-A1 BENZOPYRANS AND BENZOXEPINES, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PREPARATION PROCESS MERCK PATENT GmbH (DE) 2001-10-10 EP disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-2000039113-A1 BENZOPYRANS AND BENZOXEPINES, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PREPARATION PROCESS MERCK PATENT GMBH (DE) 2000-07-06 WO disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1998016527-A1 BENZOXEPINE DERIVATIVES WHICH PROMOTE RELEASE OF GROWTH HORMONE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-23 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-20030040632-A1 Process for producing cyclic compound CTH, DOHH, SLC39A11 ALOX5 3076/4885SMN1; SMN2 3171/4885NPC1 2059/4885
US-20110052562-A1 BENZIMIDAZOLES AND ANALOGS AS RHO KINASE INHIBITORS ROCK1, ROCK2, ARHGDIB ALOX5 4290/4885SMN1; SMN2 3133/4885NPC1 1508/4885
US-20110009455-A1 5-Oxo-2,3,4,5-tetrahydro-benzo[b]oxepine-4-carboxylic acid amides and 2,3-Dihydro-benzo[b]oxepine-4-carboxylic acid amides for treatment and prevention of Diabetes Typ 1 and 2 GPR119, HK1, GCKR ALOX5 383/4885SMN1; SMN2 4124/4885NPC1 2340/4885

“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.