SCHEMBL1364536

SCHEMBL1364536

COc1cccc(C2CCCN(C(=O)C3C(C(=O)O)CC4(CC4C(N)=O)CN3C)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 1/20 0.44
DRD2 P14416 2/20 0.44
MYC P01106 1/20 0.44
BCL9 O00512 4/20 0.41
CTNNB1 P35222 4/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HIF1A Q16665 1/20 0.41
F11 P03951 1/20 0.40
GRM5 P41594 1/20 0.40
PARP14 Q460N5 1/20 0.39
PARP10 Q53GL7 1/20 0.39
USP30 Q70CQ3 1/20 0.38
DRD3 P35462 1/20 0.37
KCNH2 Q12809 1/20 0.37
ADAM10 O14672 1/20 0.37
HSD11B1 P28845 1/20 0.37
MGLL Q99685 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL1364025 0.91 DRD2 (0.41) DRD2ALDH1A1LMNAPARP14PARP10
SCHEMBL1363975 0.82 ADAM10 (0.46) ALDH1A1LMNAADAM10MEN1KMT2A
SCHEMBL1365953 0.79 ADAM10 (0.44) PARP14PARP10KCNH2ADAM10HSD11B1
SCHEMBL1364531 0.77 ADAM10 (0.61) PROKR1DRD2MYCF11ADAM10
SCHEMBL1365039 0.77 ADAM10 (0.61) PROKR1DRD2MYCF11ADAM10
SCHEMBL1366637 0.76 SCD5 (0.39) LMNAADAM10
SCHEMBL1365314 0.75 ADAM10 (0.47) DRD2ALDH1A1LMNAADAM10HSD11B1
SCHEMBL1366543 0.74 TACR3 (0.45) ALDH1A1KCNH2MEN1KMT2A
SCHEMBL21359167 0.73 PROKR1 (0.62) PROKR1DRD2MYCBCL9CTNNB1
SCHEMBL1367100 0.73 KMT2A (0.55) DRD2ALDH1A1LMNAADAM10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases INCYTE HOLDINGS CORPORATION (US) 2019-03-12 US disclosed
US-20180153882-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases INCYTE CORPORATION 2018-06-07 US disclosed
US-9801877-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2017-10-31 US disclosed
US-20170035751-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases INCYTE CORPORATION 2017-02-09 US disclosed
US-9403775-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2016-08-02 US disclosed
EP-3020402-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Holdings Corporation (US) 2016-05-18 EP disclosed
EP-1622569-B1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES INCYTE CORP (US) 2015-12-02 EP disclosed
US-20140187530-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases INCYTE CORPORATION (US) 2014-07-03 US disclosed
US-8637497-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2014-01-28 US disclosed
EP-2617419-A1 Aza spiro alkane derivatives as inhibitors of metallproteases Incyte Corporation (US) 2013-07-24 EP disclosed
US-20110288068-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION 2011-11-24 US disclosed
US-8039471-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2011-10-18 US disclosed
US-7723349-B2 N-hydroxy-5-methyl-6-{[4-(3-methylphenyl)piperazin-1-yl]carbonyl}-5-azaspiro[2.5]octane-7-carboxamide for example; treating arthritis, cancer, cardiovascular disorders, skin disorders, inflammation and allergic conditions INCYTE CORPORATION (US) 2010-05-25 US disclosed
US-20090124649-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION (US) 2009-05-14 US disclosed
EP-1622569-A4 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES INCYTE CORP (US) 2008-08-27 EP disclosed
EP-1622569-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLPROTEASES Incyte Corporation (US) 2006-02-08 EP disclosed
US-20040259896-A1 N-hydroxy-5-methyl-6-{[4-(3-methylphenyl)piperazin-1-yl]carbonyl}-5-azaspiro[2.5]octane-7-carboxamide for example; treating arthritis, cancer, cardiovascular disorders, skin disorders, inflammation and allergic conditions INCYTE CORPORATION 2004-12-23 US disclosed
WO-2004096139-A2 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION (US) 2004-11-11 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 (7 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-20110288068-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES MMP9, MMP3, MMP12 PROKR1 480/4885DRD2 4083/4885MYC 1606/4885
US-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases MMP9, MMP3, MMP12 PROKR1 480/4885DRD2 4083/4885MYC 1606/4885
US-20170035751-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 PROKR1 480/4885DRD2 4083/4885MYC 1606/4885
US-20090124649-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES MMP9, MMP3, MMP12 PROKR1 480/4885DRD2 4083/4885MYC 1606/4885
US-20140187530-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 PROKR1 480/4885DRD2 4083/4885MYC 1606/4885
US-20040259896-A1 N-hydroxy-5-methyl-6-{[4-(3-methylphenyl)piperazin-1-yl]carbonyl}-5-azaspiro[2.5]octane-7-carboxamide for example; treating arthritis, cancer, cardiovascular disorders, skin disorders, inflammation and allergic conditions MMP9, MMP25, HDAC5 PROKR1 764/4885DRD2 4305/4885MYC 1576/4885
US-20180153882-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 PROKR1 480/4885DRD2 4083/4885MYC 1606/4885

“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.