SCHEMBL3242485

SCHEMBL3242485

O=C(CBr)N1CCCC2CCCCC21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
DPP7 Q9UHL4 6/20 0.40
HSD11B1 P28845 7/20 0.39
DPP4 P27487 7/20 0.39
FAP Q12884 7/20 0.39
PREP P48147 2/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
HSD17B1 P14061 1/20 0.38
CNR2 P34972 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL771483 0.85 NPC1 (0.53) DRD2DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL771464 0.85 DRD2 (0.51) DRD2DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL770711 0.84 NPC1 (0.47) DRD2DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL770709 0.82 NPC1 (0.44) DRD2DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL19416135 0.81 DRD2 (0.49) DRD2DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL793909 0.81 DRD2 (0.49) DRD2DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL770615 0.81 DRD2 (0.49) DRD2DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL11811900 0.81 DRD2 (0.52) DRD2DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL770256 0.81 DRD2 (0.52) DRD2DRD4NPC1RAB9ASMN1; SMN2
SCHEMBL794344 0.81 DRD2 (0.49) DRD2DRD4NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586577-B2 Diazepane acetamide derivatives as selective 11B-HSD1 inhibitors MERCK PATENT GMBH (DE) 2013-11-19 US disclosed
US-20120283247-A1 DIAZEPANE ACETAMIDE DERIVATIVES AS SELECTIVE 11B-HSD1 INHIBITORS MERCK PATENT GMBH (DE) 2012-11-08 US disclosed
US-8242107-B2 Diazepane-acetamide derivatives as selective 11β-HSD1 inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-08-14 US disclosed
EP-2078001-B8 DIAZEPANE-ACETAMIDE DERIVATIVES AS SELECTIVE 11 -HSD1 INHIBITORS MERCK PATENT GMBH (DE) 2010-12-15 EP disclosed
EP-2078001-B1 DIAZEPANE-ACETAMIDE DERIVATIVES AS SELECTIVE 11 -HSD1 INHIBITORS MERCK PATENT GMBH (DE) 2010-05-12 EP disclosed
US-20100069365-A1 Diazepane-acetamide derivatives as selective 11B-HSD1 inhibitors MERCK PATENT GMBH (DE) 2010-03-18 US disclosed
EP-2078001-A1 DIAZEPANE-ACETAMIDE DERIVATIVES AS SELECTIVE 11 -HSD1 INHIBITORS Merk Patent Gmbh (DE) 2009-07-15 EP disclosed
WO-2008052638-A1 DIAZEPANE-ACETAMIDE DERIVATIVES AS SELECTIVE 11β-HSD1 INHIBITORS MERK PATENT GMBH (DE) 2008-05-08 WO disclosed
EP-1918285-A1 Diazepane-acetamide derivatives as selective 11beta-HSD1 inhibitors Merck Sante (FR) 2008-05-07 EP 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-20100069365-A1 Diazepane-acetamide derivatives as selective 11B-HSD1 inhibitors HSD11B1, HSD11B2, HSD17B1 DRD2 1580/4885DRD4 1882/4885NPC1 689/4885
US-20120283247-A1 DIAZEPANE ACETAMIDE DERIVATIVES AS SELECTIVE 11B-HSD1 INHIBITORS HSD11B1, HSD11B2, HSD17B1 DRD2 1415/4885DRD4 1734/4885NPC1 820/4885

“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.