SCHEMBL1363878

SCHEMBL1363878

C1=NCC=C(c2cccc(OCc3ccccc3)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 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
MAOA P21397 1/20 0.43
NR4A2 P43354 1/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
SMPD1 P17405 2/20 0.42
CHRNB2 P17787 3/20 0.42
CHRNB4 P30926 3/20 0.42
CHRNA3 P32297 3/20 0.42
CHRNA7 P36544 3/20 0.42

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
SCHEMBL1363879 0.83 BRD4 (0.48) HPGDTSHRMAPK1SMN1; SMN2
SCHEMBL3540686 0.79 MAOB (0.46) MAOBMRGPRX4CYP4F2CYP4A11BCHE
SCHEMBL379281 0.76 MAOB (0.67) MAOBMRGPRX4CYP4F2CYP4A11BCHE
SCHEMBL2137838 0.75 MRGPRX4 (0.69) MAOBMRGPRX4CYP4F2CYP4A11BCHE
SCHEMBL30317738 0.74 MAOB (0.49) MAOBMRGPRX4CYP4F2CYP4A11BCHE
SCHEMBL1366435 0.74 RXRA (0.43) MAOBMAOANR4A2TSHRHTT
SCHEMBL5266330 0.74 MAOB (0.49) MAOBMRGPRX4CYP4F2CYP4A11BCHE
SCHEMBL9214604 0.71 FABP7 (0.51) MAOBMRGPRX4CYP4F2CYP4A11BCHE
SCHEMBL1268719 0.71 MAOB (0.81) MAOBCYP4F2CYP4A11BCHEMAOA
SCHEMBL16346074 0.70 GSTP1 (0.66) MAOBMRGPRX4CYP4F2CYP4A11BCHE

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-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-8637497-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2014-01-28 US 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-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-20110288068-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES MMP9, MMP3, MMP12 MAOB 1204/4885MRGPRX4 1102/4885CYP4F2 1025/4885
US-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases MMP9, MMP3, MMP12 MAOB 1204/4885MRGPRX4 1102/4885CYP4F2 1025/4885
US-20090124649-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES MMP9, MMP3, MMP12 MAOB 1204/4885MRGPRX4 1102/4885CYP4F2 1025/4885
US-20180153882-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.