SCHEMBL4334818

SCHEMBL4334818

c1ccc(N2CCN([C@H]3CCOC3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.57
ALDH1A1 P00352 2/20 0.54
MBTD1 Q05BQ5 1/20 0.53
L3MBTL3 Q96JM7 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 1/20 0.52
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
SLC18A3 Q16572 1/20 0.47
DRD2 P14416 4/20 0.47
DRD3 P35462 3/20 0.47
KDM4E B2RXH2 1/20 0.46
DRD4 P21917 2/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
AKR1C3 P42330 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45

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
SCHEMBL16437212 0.86 GRIN2B (0.59) GRIN2BALDH1A1MBTD1L3MBTL3L3MBTL1
SCHEMBL23160479 0.83 ADRA2C (0.50) GRIN2BALDH1A1LMNAMAPT
SCHEMBL30647416 0.83 ADRA2C (0.50) GRIN2BALDH1A1LMNAMAPT
SCHEMBL17550896 0.82 TRPV6 (0.54)
SCHEMBL26498519 0.80 ALDH1A1 (0.45) ALDH1A1L3MBTL3L3MBTL1LMNAMAPT
SCHEMBL14161697 0.80 GRIN2B (0.76) GRIN2BALDH1A1MBTD1L3MBTL3L3MBTL1
SCHEMBL104159 0.77 L3MBTL3 (0.73) GRIN2BALDH1A1MBTD1L3MBTL3L3MBTL1
SCHEMBL13648728 0.77 L3MBTL3 (0.72) GRIN2BALDH1A1MBTD1L3MBTL3L3MBTL1
SCHEMBL13648726 0.77 L3MBTL3 (0.72) GRIN2BALDH1A1MBTD1L3MBTL3L3MBTL1
SCHEMBL4473029 0.77 SLC18A3 (0.60) GRIN2BALDH1A1SLC18A3CYP2C9CYP2C19

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 5 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-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
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 (4 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-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases MMP9, MMP3, MMP12 GRIN2B 3274/4885ALDH1A1 83/4885MBTD1 1875/4885
US-20090124649-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES MMP9, MMP3, MMP12 GRIN2B 3274/4885ALDH1A1 83/4885MBTD1 1875/4885
US-20140187530-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 GRIN2B 3274/4885ALDH1A1 83/4885MBTD1 1875/4885
US-20180153882-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 GRIN2B 3274/4885ALDH1A1 83/4885MBTD1 1875/4885

“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.