SCHEMBL3540686

SCHEMBL3540686

C1=C(c2cccc(OCc3ccccc3)c2)CC[N]C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
BCHE P06276 1/20 0.43
NR4A2 P43354 2/20 0.43
MAOA P21397 1/20 0.43
BRD4 O60885 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PRKDC P78527 1/20 0.41
NAAA Q02083 1/20 0.41
ALOX5 P09917 1/20 0.41
LCK P06239 1/20 0.41
HPD P32754 1/20 0.41

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
SCHEMBL3541066 0.82 MAPT (0.45) BRD4
SCHEMBL30317738 0.80 MAOB (0.49) MAOBMRGPRX4CYP4F2CYP4A11BCHE
SCHEMBL5266330 0.80 MAOB (0.49) MAOBMRGPRX4CYP4F2CYP4A11BCHE
SCHEMBL1363878 0.79 MAOB (0.46) MAOBMRGPRX4CYP4F2CYP4A11BCHE
SCHEMBL3540753 0.77 NISCH (0.47) CYP4F2CYP4A11
SCHEMBL9214604 0.76 FABP7 (0.51) MAOBMRGPRX4CYP4F2CYP4A11BCHE
SCHEMBL379281 0.76 MAOB (0.67) MAOBMRGPRX4CYP4F2CYP4A11BCHE
SCHEMBL240095 0.76 SIGMAR1 (0.42)
SCHEMBL2137838 0.75 MRGPRX4 (0.69) MAOBMRGPRX4CYP4F2CYP4A11BCHE
SCHEMBL6044553 0.73 MEN1 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2617419-A1 Aza spiro alkane derivatives as inhibitors of metallproteases Incyte Corporation (US) 2013-07-24 EP 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

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

For each of this compound's patents that has machine-readable text (1 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-20170035751-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 MAOB 1204/4885MRGPRX4 1102/4885CYP4F2 1025/4885

“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.