SCHEMBL914535

SCHEMBL914535

CCc1ccc2c(c1)OCCC(C(=O)Nc1ccccn1)C2=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
NPC1 O15118 2/20 0.43
PKM P14618 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
FAAH O00519 1/20 0.40
GRM1 Q13255 1/20 0.40
GSK3B P49841 1/20 0.40
LMNA P02545 2/20 0.39
RIOK2 Q9BVS4 1/20 0.39
POLB P06746 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
BRAF P15056 1/20 0.38

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
SCHEMBL913142 0.85 GRM1 (0.49) RAB9ANPC1PKMSMN1; SMN2MEN1
SCHEMBL914549 0.85 KCNMA1 (0.46) RAB9ANPC1PKMSMN1; SMN2MEN1
SCHEMBL15603222 0.83 RAB9A (0.41) RAB9ANPC1PKMSMN1; SMN2MEN1
SCHEMBL914106 0.82 ALDH1A1 (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL913151 0.81 RAB9A (0.48) RAB9ANPC1PKMSMN1; SMN2MEN1
SCHEMBL914108 0.80 GRM1 (0.41) RAB9ANPC1PKMSMN1; SMN2MEN1
SCHEMBL913888 0.80 RAB9A (0.47) RAB9ANPC1PKMSMN1; SMN2MEN1
SCHEMBL913175 0.77 ABL1 (0.46) RAB9ANPC1PKMSMN1; SMN2MEN1
SCHEMBL912877 0.76 MEN1 (0.39) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL15603267 0.74 SMN1; SMN2 (0.39) RAB9ANPC1PKMSMN1; SMN2MEN1

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 10 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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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

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 RAB9A 4101/4885NPC1 2340/4885PKM 1180/4885

“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.