SCHEMBL8059684

SCHEMBL8059684

CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1COc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
NR1D1 P20393 2/20 0.40
TACR1 P25103 3/20 0.38
KMT2A Q03164 3/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
ABHD6 Q9BV23 1/20 0.37
DAGLA Q9Y4D2 1/20 0.37
SSTR4 P31391 1/20 0.37
MEN1 O00255 2/20 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
SCHEMBL4292244 0.90 HDAC8 (0.42) POLBHDAC8NR1D1TACR1KMT2A
SCHEMBL8067784 0.89 CYP3A4 (0.44) CYP1A2POLBCYP3A4CYP2C19HDAC8
SCHEMBL8064390 0.88 HDAC8 (0.42) HDAC8NR1D1TACR1KMT2A
SCHEMBL8059551 0.88 CYP1A2 (0.45) CYP1A2POLBCYP3A4CYP2C19HDAC8
SCHEMBL4446450 0.86 POLB (0.42) CYP1A2POLBCYP3A4CYP2C19HDAC8
SCHEMBL4446456 0.86 POLB (0.42) CYP1A2POLBCYP3A4CYP2C19HDAC8
SCHEMBL5155194 0.85 CYP1A2 (0.44) CYP1A2POLBCYP3A4CYP2C19KMT2A
SCHEMBL6543115 0.85 CYP1A2 (0.44) CYP1A2POLBCYP3A4CYP2C19KMT2A
SCHEMBL13663630 0.83 HDAC8 (0.39) CYP1A2POLBCYP3A4CYP2C19HDAC8
SCHEMBL4305832 0.83 S1PR5 (0.41) NR1D1KMT2AHCRTR1HCRTR2ABHD6

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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-10-22 US disclosed
WO-2009026197-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-02-26 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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE CTSB, CTSS, CTSF CYP1A2 974/4885POLB 690/4885CYP3A4 2004/4885

“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.