SCHEMBL1364154

SCHEMBL1364154

c1ccc2cc(C3CC[N]C3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.45
DRD2 P14416 1/20 0.45
SLC6A2 P23975 8/20 0.45
SLC6A3 Q01959 8/20 0.45
CYP2D6 P10635 1/20 0.45
KCNH2 Q12809 1/20 0.45
KDM4E B2RXH2 1/20 0.42
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
KDM1A O60341 2/20 0.37
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37

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
SCHEMBL4671471 0.89 SLC6A4 (0.51) SLC6A4DRD2SLC6A2SLC6A3CYP2D6
SCHEMBL5405317 0.78 SLC6A4 (0.59) SLC6A4DRD2SLC6A2SLC6A3CYP2D6
SCHEMBL1367144 0.77 SLC18A3 (0.45) DRD2
SCHEMBL1366116 0.77 SLC18A3 (0.45) DRD2
SCHEMBL242194 0.77 SLC18A3 (0.45) DRD2
SCHEMBL4648603 0.75 SLC6A4 (0.56) SLC6A4DRD2SLC6A2SLC6A3CYP2D6
SCHEMBL5400233 0.75 SLC6A4 (0.56) SLC6A4DRD2SLC6A2SLC6A3CYP2D6
SCHEMBL1363924 0.74 KDM1A (0.46) SLC6A4SLC6A2SLC6A3KCNH2KDM1A
SCHEMBL3673985 0.73 BACE1 (0.54) SLC6A4DRD2SLC6A2SLC6A3CYP2D6
Naphthalene SCHEMBL9359039 0.73 BACE1 (0.54) SLC6A4DRD2SLC6A2SLC6A3CYP2D6

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 12 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-9403775-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2016-08-02 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 (5 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 SLC6A4 3600/4885DRD2 4083/4885SLC6A2 3825/4885
US-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases MMP9, MMP3, MMP12 SLC6A4 3600/4885DRD2 4083/4885SLC6A2 3825/4885
US-20090124649-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES MMP9, MMP3, MMP12 SLC6A4 3600/4885DRD2 4083/4885SLC6A2 3825/4885
US-20140187530-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 SLC6A4 3600/4885DRD2 4083/4885SLC6A2 3825/4885
US-20180153882-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 SLC6A4 3600/4885DRD2 4083/4885SLC6A2 3825/4885

“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.