SCHEMBL8235172

SCHEMBL8235172

Cc1cc(CNC(=O)OC(C)(C)C)on1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.49
VHL P40337 1/20 0.44
HDAC6 Q9UBN7 2/20 0.43
HDAC1 Q13547 1/20 0.43
POLB P06746 3/20 0.42
USP2 O75604 1/20 0.42
KDM4A O75164 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
CYP1A2 P05177 2/20 0.41
PDE10A Q9Y233 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1C Q13936 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL30914650 0.85 KDM4A (0.42) HDAC6HDAC1POLBKDM4ANR1H4
SCHEMBL1810190 0.84 NR1H4 (0.45) HDAC6HDAC1POLBKDM4ANR1H4
SCHEMBL4010124 0.83 NR1H4 (0.44) HDAC6HDAC1POLBKDM4ANR1H4
SCHEMBL27773505 0.83 NR1H4 (0.47) HDAC6HDAC1POLBKDM4ANR1H4
SCHEMBL4015367 0.83 EPHX2 (0.52) EPHX2HDAC6HDAC1KDM4ANR1H4
SCHEMBL2123367 0.83 EPHX2 (0.41) EPHX2HDAC6HDAC1KDM4ANR1H4
SCHEMBL1178054 0.82 MAPT (0.43) HDAC6HDAC1POLBKDM4ANR1H4
SCHEMBL3862171 0.82 EPHX2 (0.53) EPHX2KDM4ELMNANPC1RAB9A
SCHEMBL9849328 0.81 NR1H4 (0.43) EPHX2HDAC6HDAC1KDM4ANR1H4
SCHEMBL3856479 0.80 GFER (0.40) EPHX2HDAC6HDAC1POLBKDM4A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088452-A1 Indole Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-04-02 US disclosed
WO-2007061763-A2 INDOLE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-05-31 WO 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 (1 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-20090088452-A1 Indole Orexin Receptor Antagonists HCRTR2, HCRTR1, OXTR EPHX2 2029/4885VHL 575/4885HDAC6 781/4885

“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.