SCHEMBL2000318

SCHEMBL2000318

O=C(NCCO)c1cnc2c(c1)N(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CCO2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.49
CPT1A P50416 4/20 0.47
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.42
CCR2 P41597 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
CCR4 P51679 1/20 0.39
CPT2 P23786 2/20 0.38
CPT1B Q92523 1/20 0.38
MAPT P10636 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL1998580 0.87 CPT1A (0.48) RORCCPT1AHTTCYP2C9CYP3A4
SCHEMBL2000593 0.87 CPT1A (0.51) RORCCPT1AHSD17B10CYP2C9CYP3A4
SCHEMBL2002229 0.87 CPT1A (0.49) RORCCPT1ACYP2C9CPT2CPT1B
SCHEMBL1999198 0.85 CPT1A (0.49) RORCCPT1APOLBHTTCYP2C9
SCHEMBL2001759 0.85 RORC (0.49) RORCCPT1AHTT
SCHEMBL2005185 0.85 CPT1A (0.51) RORCCPT1ACYP2C9CPT2CPT1B
SCHEMBL2001013 0.85 RORC (0.51) RORCCPT1ACYP2C9CPT2CPT1B
SCHEMBL1999577 0.84 CPT1A (0.51) RORCCPT1ACYP2C9CPT2CPT1B
SCHEMBL2004223 0.84 RORC (0.46) RORCCPT1AHTTCYP2C9CPT2
SCHEMBL2000252 0.83 RORC (0.47) RORCCPT1AHPGD

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 7 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

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 RORC 122/4885CPT1A 3067/4885POLB 3140/4885

“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.