SCHEMBL915230

SCHEMBL915230

O=C1CCCOc2cc(F)ccc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.51
MAOA P21397 1/20 0.51
GRM5 P41594 5/20 0.51
FABP6 P51161 1/20 0.44
NR3C2 P08235 1/20 0.42
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL29758920 0.89 MAOB (0.64) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL569174 0.89 MAOB (0.64) MAOBMAOAGRM5NPC1ALDH1A1
Hydrochloric Acid SCHEMBL27916588 0.88 MAOB (0.62) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL1484962 0.86 FABP6 (0.55) MAOBMAOAGRM5FABP6NPC1
SCHEMBL2628149 0.79 MAOB (0.51) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL30038594 0.79 MAOB (0.51) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL20165294 0.79 MAOB (0.81) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL29756757 0.79 MAOB (0.81) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL11065204 0.79 MAOB (0.51) MAOBMAOAGRM5NPC1ALDH1A1
SCHEMBL6209577 0.79 MAOB (0.51) MAOBMAOAGRM5NPC1ALDH1A1

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 6 patents. 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-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
US-6316437-B1 ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. 2001-11-13 US 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 (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-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 MAOB 200/4885MAOA 238/4885GRM5 539/4885

“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.