SCHEMBL2000511

SCHEMBL2000511

CC(C)(C)NC(=O)c1cnc2c(c1)N(C(=O)OC(C)(C)C)CCO2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.42
CPT1A P50416 2/20 0.39
EGFR P00533 1/20 0.37
BTK Q06187 1/20 0.37
USP30 Q70CQ3 3/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
NAMPT P43490 2/20 0.34
UCHL1 P09936 1/20 0.34
CSNK2A1 P68400 1/20 0.33
ACKR3 P25106 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32

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
SCHEMBL2003415 0.88 CPT1A (0.41) CPT1AEGFRBTKUSP30HDAC1
SCHEMBL2004965 0.87 HDAC1 (0.46) CPT1AEGFRBTKUSP30HDAC1
SCHEMBL2024952 0.86 CPT1A (0.41) HPGDSCPT1APOLBMAPT
SCHEMBL19023335 0.82 USP30 (0.38) EGFRBTKUSP30HDAC1HDAC6
SCHEMBL13670321 0.82 CPT1A (0.42) HPGDSCPT1AHDAC1HDAC6POLB
SCHEMBL21590262 0.81 USP30 (0.38) EGFRBTKUSP30HDAC1HDAC6
SCHEMBL30199499 0.77 EGFR (0.36) CPT1AEGFRBTKUSP30HDAC1
SCHEMBL19707189 0.77 EGFR (0.36) CPT1AEGFRBTKUSP30HDAC1
SCHEMBL21635155 0.77 USP30 (0.45) EGFRBTKUSP30HDAC1HDAC6
SCHEMBL30191164 0.77 USP30 (0.45) EGFRBTKUSP30HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960377-B2 Substituted pyridoxazines CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-7960377-B2 Substituted pyridoxazines CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-7960377-B2 Substituted pyridoxazines CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 US disclosed
US-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 US disclosed
US-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 US disclosed
WO-2009120660-A2 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 WO disclosed
WO-2009120660-A2 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 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-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CNR1, CNR2, TRPV1 HPGDS 372/4885CPT1A 3067/4885EGFR 528/4885

“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.