SCHEMBL1998022

SCHEMBL1998022

CCOC(=O)C1(NC(=O)c2cnc3c(c2)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCO3)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.42
RORC P51449 5/20 0.42
MAPT P10636 2/20 0.40
CYP2C9 P11712 1/20 0.40
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
NR1H3 Q13133 2/20 0.36
NR1H2 P55055 1/20 0.36
KDM2B Q8NHM5 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL1999737 0.97 CPT1A (0.41) CPT1ARORCMAPTCYP2C9HDAC3
SCHEMBL2001174 0.88 RORC (0.46) CPT1ARORCMAPTCYP2C9HDAC3
SCHEMBL1999891 0.85 CPT1A (0.44) CPT1ARORCMAPTCYP2C9KDM2B
SCHEMBL2003590 0.85 RORC (0.44) CPT1ARORCMAPTCYP2C9HDAC3
SCHEMBL1995266 0.84 DGAT2 (0.33) CPT1AMAPTGAA
SCHEMBL2001186 0.82 RORC (0.44) CPT1ARORCMAPTCYP2C9HDAC3
SCHEMBL1999725 0.81 HTT (0.48) CPT1ARORCMAPTCYP2C9HDAC3
SCHEMBL2003116 0.81 CPT1A (0.48) CPT1ARORCMAPTCYP2C9HDAC3
SCHEMBL2000796 0.81 CYP2C9 (0.55) CPT1ARORCMAPTCYP2C9HDAC3
SCHEMBL2001074 0.80 CPT1A (0.47) CPT1ARORCMAPTCYP2C9HDAC6

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 5 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

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 CPT1A 3067/4885RORC 122/4885MAPT 1750/4885

“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.