SCHEMBL2006808

SCHEMBL2006808

CC(C)(CN1CCCCC1)NC(=O)c1cnc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.45
CPT1A P50416 2/20 0.43
RORC P51449 5/20 0.43
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.40
NR1H3 Q13133 2/20 0.37
NR1H2 P55055 1/20 0.37
CYP2C9 P11712 1/20 0.37
BRD4 O60885 3/20 0.37
BRD2 P25440 3/20 0.37
BRD3 Q15059 2/20 0.37
BRDT Q58F21 2/20 0.37
CYP11B1 P15538 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL2001369 0.99 HDAC4 (0.45) HDAC4CPT1ARORCHTTMAPT
SCHEMBL1997405 0.94 CPT1A (0.43) HDAC4CPT1ARORCMAPTBRD4
SCHEMBL2005029 0.89 CPT1A (0.46) HDAC4CPT1ARORCHTTMAPT
SCHEMBL1999725 0.89 HTT (0.48) HDAC4CPT1ARORCHTTMAPT
SCHEMBL2008648 0.88 CPT1A (0.45) HDAC4CPT1ARORCHTTMAPT
SCHEMBL2003116 0.87 CPT1A (0.48) HDAC4CPT1ARORCMAPTNR1H3
SCHEMBL2002907 0.83 HDAC4 (0.44) HDAC4CPT1AHTTMAPTEPHX2
SCHEMBL2002489 0.83 RORC (0.44) HDAC4CPT1ARORCHTTMAPT
SCHEMBL2008087 0.82 HDAC4 (0.45) HDAC4CPT1ARORCEPHX2
SCHEMBL2004376 0.82 CPT1A (0.45) HDAC4CPT1ARORCMAPTNR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960377-B2 Substituted pyridoxazines CARA THERAPEUTICS, INC. (US) 2011-06-14 US claimed
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
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 HDAC4 1922/4885CPT1A 3067/4885RORC 122/4885

“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.