SCHEMBL8294396

SCHEMBL8294396

COc1ccc(CN2CCCN(C(=O)OC(C)(C)C)CC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.47
MMP9 P14780 2/20 0.47
MMP13 P45452 1/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM1A O60341 1/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.46
DPP4 P27487 1/20 0.46
TP53 P04637 1/20 0.44
P2RX3 P56373 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HDAC6 Q9UBN7 2/20 0.43
HDAC1 Q13547 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
STS P08842 1/20 0.42

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
SCHEMBL2262766 0.93 CYP3A4 (0.52) MMP1MMP9ALDH1A1L3MBTL1KDM1A
SCHEMBL327031 0.87 L3MBTL1 (0.47) L3MBTL1TP53HDAC6HDAC1MEN1
SCHEMBL29967631 0.83 ALDH1A1 (0.55) MMP1MMP9ALDH1A1L3MBTL1KDM1A
SCHEMBL31618801 0.82 ALDH1A1 (0.50) MMP1MMP9MMP13ALDH1A1L3MBTL1
SCHEMBL18089241 0.82 ALDH1A1 (0.50) MMP1MMP9MMP13ALDH1A1L3MBTL1
SCHEMBL23728272 0.81 SMN1; SMN2 (0.52) ALDH1A1L3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL22532823 0.81 TP53 (0.50) ALDH1A1KDM1AMAPTLMNASMN1; SMN2
SCHEMBL20129614 0.81 TP53 (0.50) ALDH1A1KDM1AMAPTLMNASMN1; SMN2
SCHEMBL14103789 0.81 VEGFA (0.53) KDM1ASMN1; SMN2TP53HDAC6HDAC1
SCHEMBL1876106 0.80 TP53 (0.49) ALDH1A1MAPTLMNASMN1; SMN2TP53

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
US-9062007-B2 Cyclic amide BACE-1 inhibitors having a benzamide substituent MERCK SHARP & DOHME CORP. (US) 2015-06-23 US disclosed
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-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-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-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
US-7662816-B2 Cyclic amine BACE-1 inhibitors having a benzamide substituent SCHERING CORPORATION (US) 2010-02-16 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 (3 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 MMP1 1737/4885MMP9 558/4885MMP13 944/4885
US-20100152138-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT BACE1, BACE2, BCHE MMP1 1627/4885MMP9 499/4885MMP13 894/4885
US-20130004518-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT BACE1, BACE2, BCHE MMP1 1627/4885MMP9 499/4885MMP13 894/4885

“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.