SCHEMBL2004965

SCHEMBL2004965

COC(=O)c1cnc2c(c1)N(C(=O)OC(C)(C)C)CCO2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
USP30 Q70CQ3 3/20 0.41
UCHL1 P09936 1/20 0.41
CSNK2A1 P68400 2/20 0.39
CPT1A P50416 2/20 0.38
EGFR P00533 1/20 0.38
BTK Q06187 1/20 0.38
PKM P14618 1/20 0.36
CYP2C9 P11712 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
NR1H2 P55055 1/20 0.34
GRM5 P41594 1/20 0.34
PIK3CA P42336 4/20 0.34
MTOR P42345 2/20 0.33
CSNK2A2 P19784 1/20 0.33

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 0.90 CPT1A (0.41) HDAC1HDAC6USP30CSNK2A1CPT1A
SCHEMBL2000511 0.87 HPGDS (0.42) HDAC1HDAC6USP30UCHL1CSNK2A1
SCHEMBL19023335 0.83 USP30 (0.38) HDAC1HDAC6USP30CSNK2A1EGFR
SCHEMBL21590262 0.82 USP30 (0.38) HDAC1HDAC6USP30UCHL1CSNK2A1
SCHEMBL27361442 0.80 UCHL1 (0.48) HDAC1HDAC6USP30UCHL1PKM
SCHEMBL12569914 0.79 KDM4E (0.44) HDAC1HDAC6CPT1ACYP2C9GRM5
SCHEMBL2881942 0.79 CYP2C9 (0.53) HDAC1HDAC6USP30UCHL1CSNK2A1
SCHEMBL19707189 0.79 EGFR (0.36) HDAC1HDAC6USP30CSNK2A1CPT1A
SCHEMBL30199499 0.79 EGFR (0.36) HDAC1HDAC6USP30CSNK2A1CPT1A
SCHEMBL21635155 0.78 USP30 (0.45) HDAC1HDAC6USP30CSNK2A1EGFR

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 HDAC1 708/4885HDAC6 1857/4885USP30 3920/4885

“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.