SCHEMBL3240989

SCHEMBL3240989

O=C(CBr)N(C1CCCCC1)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
ADH1A P07327 2/20 0.41
ADH1C P00326 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
PHGDH O43175 1/20 0.39
HSD11B1 P28845 1/20 0.38
USP2 O75604 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
RECQL P46063 1/20 0.36
ADAM17 P78536 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
SCHEMBL5430139 0.98 LMNA (0.43) LMNAKMT2AMEN1ADH1AADH1C
SCHEMBL2096556 0.80 KMT2A (0.42) LMNAKMT2AMEN1ADH1AADH1C
SCHEMBL2096559 0.80 KMT2A (0.42) LMNAKMT2AMEN1ADH1AADH1C
SCHEMBL27206868 0.78 HTR2A (0.46) LMNAKMT2AMEN1ADH1AADH1C
SCHEMBL2090738 0.77 KMT2A (0.44) LMNAKMT2AMEN1ADH1AADH1C
SCHEMBL2090736 0.77 KMT2A (0.44) LMNAKMT2AMEN1ADH1AADH1C
SCHEMBL13622809 0.77 KMT2A (0.44) LMNAKMT2AMEN1ADH1AADH1C
SCHEMBL3149066 0.76 HTR2A (0.47) LMNAKMT2AMEN1ADH1AADH1C
SCHEMBL7665233 0.76 ALDH1A1 (0.44) LMNAKMT2AMEN1ADH1AADH1C
SCHEMBL8171738 0.76 KMT2A (0.42) LMNAKMT2AMEN1ADH1AADH1C

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
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-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-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 LMNA 3140/4885KMT2A 1319/4885MEN1 1303/4885
US-20120283247-A1 DIAZEPANE ACETAMIDE DERIVATIVES AS SELECTIVE 11B-HSD1 INHIBITORS HSD11B1, HSD11B2, HSD17B1 LMNA 3332/4885KMT2A 1357/4885MEN1 1368/4885

“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.