SCHEMBL2004346

SCHEMBL2004346

CC(C)(C)NC(=O)c1cnc2c(c1)N(S(=O)(=O)c1cccc3ccccc13)CCO2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 3/20 0.53
HTR6 P50406 1/20 0.44
RORC P51449 4/20 0.41
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
LMNA P02545 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
HPGDS O60760 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CNR1 P21554 2/20 0.36
ACKR3 P25106 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL2002771 0.87 CPT1A (0.54) CPT1AHTR6RORCNPC1RAB9A
SCHEMBL2007206 0.87 CPT1A (0.51) CPT1AHTR6RORCP4HTMCNR1
SCHEMBL2001102 0.86 CPT1A (0.56) CPT1AHTR6RORCNPC1RAB9A
SCHEMBL1999255 0.85 CPT1A (0.51) CPT1ARORCHPGDSNPC1RAB9A
SCHEMBL2002659 0.84 CPT1A (0.55) CPT1ARORCHPGDSNPC1RAB9A
SCHEMBL2000867 0.83 CPT1A (0.49) CPT1ARORC
SCHEMBL2001745 0.82 RORC (0.51) CPT1AHTR6RORCNPC1RAB9A
SCHEMBL2003731 0.82 CPT1A (0.57) CPT1AHTR6RORC
SCHEMBL2002172 0.81 CPT1A (0.50) CPT1ARORCP4HTMNPC1RAB9A
SCHEMBL2002074 0.81 CPT1A (0.48) CPT1ARORC

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 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-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

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 3067/4885HTR6 503/4885RORC 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.