SCHEMBL1366969

SCHEMBL1366969

CN(C)c1cccc(C2CC[N]CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
PSMB5 P28074 2/20 0.39
HTR2C P28335 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NOTUM Q6P988 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
GSK3B P49841 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PTK2 Q05397 1/20 0.33
HTT P42858 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
SCHEMBL2226457 0.87 ALDH1A1 (0.47) LMNAALDH1A1TSHRPSMB5HTR2C
SCHEMBL20016674 0.84 PSMB5 (0.49) LMNAALDH1A1TSHRPSMB5HTR2C
SCHEMBL30887465 0.79 MAPK1 (0.41) LMNAALDH1A1TSHRPSMB5HTR2C
SCHEMBL3118355 0.78 SLC18A3 (0.47) ALDH1A1TSHRPSMB5SMN1; SMN2KDM4E
SCHEMBL5584241 0.77 HTR2C (0.62) TSHRHTR2CNPC1HDAC4
SCHEMBL24105589 0.76 LMNA (0.37) LMNAALDH1A1TSHRPSMB5HTR2C
SCHEMBL15819268 0.73 HTR2C (0.50) HTR2C
SCHEMBL7294404 0.73 HTR2C (0.37) HTR2CNOTUMHDAC4HDAC2HDAC8
SCHEMBL3120811 0.73 ADRA1A (0.47) HTR2C
SCHEMBL8313421 0.73 DRD2 (0.51)

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-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-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

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

For each of this compound's patents that has machine-readable text (6 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 LMNA 2622/4885ALDH1A1 83/4885TSHR 3553/4885
US-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases MMP9, MMP3, MMP12 LMNA 2622/4885ALDH1A1 83/4885TSHR 3553/4885
US-20170035751-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 LMNA 2622/4885ALDH1A1 83/4885TSHR 3553/4885
US-20090124649-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES MMP9, MMP3, MMP12 LMNA 2622/4885ALDH1A1 83/4885TSHR 3553/4885
US-20140187530-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 LMNA 2622/4885ALDH1A1 83/4885TSHR 3553/4885
US-20180153882-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 LMNA 2622/4885ALDH1A1 83/4885TSHR 3553/4885

“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.