SCHEMBL1366657

SCHEMBL1366657

CCc1ccc(C2=CC[N]CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 4/20 0.36
METAP2 P50579 1/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HSD11B1 P28845 1/20 0.35
EGFR P00533 1/20 0.34
NOTUM Q6P988 1/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 3/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL1363974 0.86 NISCH (0.45) NISCHSMN1; SMN2TP53NPC1RAB9A
SCHEMBL1364149 0.82 NISCH (0.47) NISCHSMN1; SMN2TP53NPC1RAB9A
SCHEMBL5585114 0.79 NISCH (0.37) NISCHSMN1; SMN2TP53NPC1RAB9A
SCHEMBL2253193 0.76 MAPK14 (0.38) SMN1; SMN2NPC1RAB9ANOTUMMAPT
SCHEMBL5584331 0.74 NISCH (0.42) NISCHSMN1; SMN2TP53NPC1RAB9A
SCHEMBL9360528 0.74 KIF11 (0.42) NISCHSMN1; SMN2TP53NPC1RAB9A
SCHEMBL5038451 0.74 MAPT (0.42) SMN1; SMN2TP53NPC1RAB9AGAA
SCHEMBL240095 0.74 SIGMAR1 (0.42) NISCHSMN1; SMN2NPC1RAB9AGAA
SCHEMBL3540018 0.73 AR (0.33) KDM4EHPGD
SCHEMBL4261253 0.71 PTGS2 (0.46)

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-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
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-8637497-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2014-01-28 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 NISCH 1527/4885SMN1; SMN2 2297/4885TP53 1073/4885
US-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases MMP9, MMP3, MMP12 NISCH 1527/4885SMN1; SMN2 2297/4885TP53 1073/4885
US-20170035751-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 NISCH 1527/4885SMN1; SMN2 2297/4885TP53 1073/4885
US-20090124649-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES MMP9, MMP3, MMP12 NISCH 1527/4885SMN1; SMN2 2297/4885TP53 1073/4885
US-20180153882-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 NISCH 1527/4885SMN1; SMN2 2297/4885TP53 1073/4885

“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.