SCHEMBL3413772

SCHEMBL3413772

COc1ccc(CNC(=O)CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
ALDH1A1 P00352 4/20 0.53
RAB9A P51151 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
EPHX2 P34913 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 1/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA12 O43570 2/20 0.51
CA7 P43166 1/20 0.51
CNR1 P21554 2/20 0.49
POLB P06746 2/20 0.49
CA9 Q16790 1/20 0.49
PKM P14618 1/20 0.49
CNR2 P34972 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL7652554 0.90 NPC1 (0.58) NPC1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL15145860 0.86 CA1 (0.51) NPC1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL15584912 0.84 CA1 (0.50) L3MBTL1GAACA1CA2CA12
SCHEMBL15145784 0.84 MEN1 (0.51) NPC1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL2246419 0.84 CA1 (0.56) MEN1KMT2AGAACA1CA2
SCHEMBL13884422 0.83 CA1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1GAA
SCHEMBL16192927 0.83 NPC1 (0.52) NPC1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL13154744 0.82 TPSAB1 (0.50) L3MBTL1GAACA1CA2CA12
SCHEMBL15145793 0.82 L3MBTL1 (0.55) NPC1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL1294826 0.82 HTT (0.50) NPC1RAB9AMEN1KMT2AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062007-B2 Cyclic amide BACE-1 inhibitors having a benzamide substituent MERCK SHARP & DOHME CORP. (US) 2015-06-23 US disclosed
US-20140128361-A1 CYCLIC AMIDE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2014-05-08 US disclosed
US-8623867-B2 Cyclic amine BACE-1 inhibitors having a benzamide substituent MERCK SHARP & DOHME CORP. (US) 2014-01-07 US disclosed
US-20130004518-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT Merck, Sharp & Dohme Corp. (US) 2013-01-03 US disclosed
US-8278334-B2 Cyclic amine BACE-1 inhibitors having a benzamide substituent Merck, Sharp & Dohme Corp. (US) 2012-10-02 US disclosed
US-20100152138-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT SCHERING CORP. 2010-06-17 US disclosed
US-7662816-B2 Cyclic amine BACE-1 inhibitors having a benzamide substituent SCHERING CORPORATION (US) 2010-02-16 US disclosed
EP-1660443-B1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT SCHERING CORP (US) 2009-03-04 EP disclosed
EP-1660443-A2 CYCLIC AMINE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT SCHERING CORPORATION (US) 2006-05-31 EP disclosed
US-20050119227-A1 Cyclic amine bace-1 inhibitors having a benzamide substituent SCHERING CORPORATION 2005-06-02 US disclosed
WO-2005016876-A2 CYCLIC AMINE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT SCHERING CORPORATION (US) 2005-02-24 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 (4 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-20140128361-A1 CYCLIC AMIDE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT BACE1, BACE2, BCHE NPC1 49/4885ALDH1A1 1387/4885RAB9A 2465/4885
US-20100152138-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT BACE1, BACE2, BCHE NPC1 47/4885ALDH1A1 1302/4885RAB9A 2585/4885
US-20050119227-A1 Cyclic amine bace-1 inhibitors having a benzamide substituent BACE1, BACE2, BCHE NPC1 47/4885ALDH1A1 1302/4885RAB9A 2585/4885
US-20130004518-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT BACE1, BACE2, BCHE NPC1 47/4885ALDH1A1 1302/4885RAB9A 2585/4885

“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.