SCHEMBL1365253

SCHEMBL1365253

C1=C(c2ccccc2)CCC[N]C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HTR2C P28335 1/20 0.38
HSD11B1 P28845 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
SLC18A3 Q16572 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PKM P14618 1/20 0.32
CHRNA7 P36544 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL240095 0.87 SIGMAR1 (0.42) CHRNB4CHRNA3SIGMAR1HTR2CGAA
SCHEMBL360448 0.70 ACMSD (0.47) SIGMAR1HTR2CALDH1A1
SCHEMBL3116016 0.69 CHRNB4 (0.47) CHRNB4CHRNA3NISCH
SCHEMBL1365996 0.69 CYP2A6 (0.48) CHRNB4CHRNA3NISCHSMN1; SMN2ALDH1A1
SCHEMBL3539216 0.69 NOTUM (0.40) HTR2CNPC1RAB9A
SCHEMBL8380044 0.69 ACMSD (0.49) CHRNB4CHRNA3SIGMAR1HTR2C
SCHEMBL191429 0.69 ACMSD (0.49) CHRNB4CHRNA3SIGMAR1HTR2C
SCHEMBL3121636 0.68 HTR2C (0.53) CHRNB4CHRNA3HTR2CTSHRSMN1; SMN2
SCHEMBL1365489 0.68 CHRNB4 (0.46) CHRNB4CHRNA3TSHRNISCHSMN1; SMN2
SCHEMBL5584837 0.68 NISCH (0.42) SIGMAR1TSHRNISCHSMN1; SMN2ALDH1A1

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 CHRNB4 4862/4885CHRNA3 4648/4885SIGMAR1 3621/4885
US-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases MMP9, MMP3, MMP12 CHRNB4 4862/4885CHRNA3 4648/4885SIGMAR1 3621/4885
US-20170035751-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 CHRNB4 4862/4885CHRNA3 4648/4885SIGMAR1 3621/4885
US-20090124649-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES MMP9, MMP3, MMP12 CHRNB4 4862/4885CHRNA3 4648/4885SIGMAR1 3621/4885
US-20140187530-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 CHRNB4 4862/4885CHRNA3 4648/4885SIGMAR1 3621/4885
US-20180153882-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 CHRNB4 4862/4885CHRNA3 4648/4885SIGMAR1 3621/4885

“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.