SCHEMBL913765

SCHEMBL913765

O=C1CCCOc2cc(Cl)c(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.42
MAOA P21397 2/20 0.42
GRM5 P41594 5/20 0.36
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
HTR3A P46098 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PRKCI P41743 1/20 0.33
CTSG P08311 1/20 0.33
KLK7 P49862 1/20 0.33
KLK14 Q9P0G3 1/20 0.33
KLK5 Q9Y337 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FLT1 P17948 1/20 0.33
AHR P35869 1/20 0.33

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
SCHEMBL1694551 0.89 MAOB (0.53) MAOBMAOAGRM5NPC1RAB9A
SCHEMBL20165139 0.86 PDE4A (0.42) MAOBMAOAGRM5HPGDNOTUM
SCHEMBL20165291 0.86 MAOB (0.45) MAOBMAOAGRM5NPC1RAB9A
SCHEMBL12316528 0.79 MAOB (0.47) MAOBMAOAGRM5NPC1RAB9A
SCHEMBL1181902 0.79 CTSL (0.46) MAOBMAOAGRM5NPC1RAB9A
SCHEMBL30038594 0.79 MAOB (0.51) MAOBMAOAGRM5NPC1RAB9A
SCHEMBL12431226 0.79 MAOB (0.51) MAOBMAOAGRM5NPC1RAB9A
SCHEMBL1241066 0.78 MAOA (0.42) MAOBMAOAGRM5NPC1RAB9A
SCHEMBL10334865 0.78 IMPDH2 (0.42) MAOBMAOAGRM5NPC1RAB9A
SCHEMBL20165210 0.78 MAOB (0.42) MAOBMAOAGRM5NPC1RAB9A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765803-B1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
EP-1765803-B1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
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
US-7799824-B2 Quaternary salt CCR2 antagonists ORAPHARMA, INC. (US) 2010-09-21 US disclosed
US-7799824-B2 Quaternary salt CCR2 antagonists ORAPHARMA, INC. (US) 2010-09-21 US disclosed
US-7799824-B2 Quaternary salt CCR2 antagonists ORAPHARMA, INC. (US) 2010-09-21 US 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
EP-1765803-A1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-28 EP disclosed
US-20060293379-A1 Quaternary salt CCR2 antagonists KENVUE BRANDS LLC 2006-12-28 US disclosed
WO-2006012135-A1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA, N. V. (BE) 2006-02-02 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 (2 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
US-20060293379-A1 Quaternary salt CCR2 antagonists CCR2, CCR1, CXCR2 MAOB 4644/4885MAOA 4818/4885GRM5 886/4885

“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.