SCHEMBL1365739

SCHEMBL1365739

COC(=O)c1cccc(C2CC[N]CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.48
ALDH1A1 P00352 4/20 0.45
HPGD P15428 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
PPM1B O75688 1/20 0.43
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.42
PDE4D Q08499 1/20 0.41
NPC1 O15118 1/20 0.40
RBP4 P02753 1/20 0.40
KDM6B O15054 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 1/20 0.40

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
SCHEMBL3933287 0.89 KMO (0.54) KMOALDH1A1HPGDLOXL2PPM1B
SCHEMBL8414748 0.86 KMO (0.64) KMOALDH1A1HPGDLOXL2CYP4F2
SCHEMBL26154174 0.86 KMO (0.59) KMOALDH1A1HPGDLOXL2CYP4F2
SCHEMBL1787841 0.85 KMO (0.67) KMOALDH1A1HPGDLOXL2CYP4F2
SCHEMBL233530 0.82 HTR2C (0.57) KMOLOXL2CYP4F2CYP4A11TSHR
SCHEMBL30488777 0.82 HTR2C (0.57) KMOLOXL2CYP4F2CYP4A11TSHR
SCHEMBL31706124 0.82 HTR2C (0.57) KMOLOXL2CYP4F2CYP4A11TSHR
SCHEMBL26471704 0.81 KMT2A (0.50) KMOALDH1A1KDM4EKMT2APOLB
Hydrochloric Acid SCHEMBL975329 0.81 HTR2C (0.58) KMOALDH1A1LOXL2KDM4EKMT2A
SCHEMBL3318104 0.79 RBP4 (0.51) KMOALDH1A1KDM4EKMT2AGAA

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 KMO 603/4885ALDH1A1 83/4885HPGD 283/4885
US-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases MMP9, MMP3, MMP12 KMO 603/4885ALDH1A1 83/4885HPGD 283/4885
US-20170035751-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 KMO 603/4885ALDH1A1 83/4885HPGD 283/4885
US-20090124649-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES MMP9, MMP3, MMP12 KMO 603/4885ALDH1A1 83/4885HPGD 283/4885
US-20140187530-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 KMO 603/4885ALDH1A1 83/4885HPGD 283/4885
US-20180153882-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 KMO 603/4885ALDH1A1 83/4885HPGD 283/4885

“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.