SCHEMBL3539834

SCHEMBL3539834

c1cc2c(cc1C1CC[N]C1)CCCC2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.33
ADRA2A P08913 3/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TSHR P16473 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE2A O00408 1/20 0.31
STS P08842 1/20 0.31

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
SCHEMBL5585111 0.86 ALDH1A1 (0.35) MGLLALDH1A1MEN1NPC1HPGD
SCHEMBL9746450 0.76 EPHX2 (0.49) ADRA2AADRA2BADRA2CCYP11B2TSHR
SCHEMBL31290248 0.75 ALDH1A1 (0.41) MGLLALDH1A1NPC1HPGDRAB9A
SCHEMBL10386635 0.72 ADRA2A (0.31) ADRA2AADRA2BADRA2CCYP11B1CYP11B2
SCHEMBL10879536 0.72 EPHX2 (0.49) CYP11B2ALDH1A1MEN1NPC1MAPT
SCHEMBL23917459 0.71 KDM4C (0.39) MGLLADRA2AADRA2BADRA2CHPGD
SCHEMBL5584964 0.71 QDPR (0.53)
SCHEMBL1363874 0.70 HTR3A (0.53)
SCHEMBL1364154 0.70 SLC6A4 (0.45)
SCHEMBL23917278 0.70 QDPR (0.57) MCHR1

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 MGLL 1562/4885ADRA2A 2460/4885ADRA2B 2584/4885

“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.