SCHEMBL1366435

SCHEMBL1366435

CC(C)Oc1cccc(C2=CCN=CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
PTPN5 P54829 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
WDR5 P61964 1/20 0.41
MAP4K4 O95819 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
FFAR4 Q5NUL3 3/20 0.37
CNR1 P21554 1/20 0.37
NR4A2 P43354 1/20 0.36
DHODH Q02127 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL15842074 0.84 DYRK1A (0.46) MEN1KMT2AGAAKDM4ENPC1
SCHEMBL1363879 0.81 BRD4 (0.48) RXRARXRBMAP4K4MEN1KMT2A
SCHEMBL15842336 0.78 PTPN5 (0.40) RXRARXRBPTPN5NR4A2HTT
SCHEMBL3537231 0.77 WDR5 (0.44) RXRARXRBPTPN5GABRA1GABRG2
SCHEMBL1363878 0.74 MAOB (0.46) NR4A2HTTMAOAMAOBSMN1; SMN2
SCHEMBL29924254 0.72 BRD4 (0.46) MAP4K4TGFBR1ACVR1
SCHEMBL6618791 0.72 HSD17B1 (0.44) HSD17B1HSD17B2ALDH1A1
SCHEMBL8469211 0.69 RXRA (0.72) RXRARXRBPTPN5GABRA1GABRG2
SCHEMBL10972138 0.69 HTR2C (0.49) KDM4E
SCHEMBL2968363 0.68 RXRA (0.53) RXRARXRBPTPN5GABRA1GABRG2

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 7 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-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 (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 RXRA 1920/4885RXRB 2284/4885PTPN5 1321/4885
US-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases MMP9, MMP3, MMP12 RXRA 1920/4885RXRB 2284/4885PTPN5 1321/4885
US-20090124649-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES MMP9, MMP3, MMP12 RXRA 1920/4885RXRB 2284/4885PTPN5 1321/4885
US-20140187530-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 RXRA 1920/4885RXRB 2284/4885PTPN5 1321/4885
US-20180153882-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 RXRA 1920/4885RXRB 2284/4885PTPN5 1321/4885

“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.