SCHEMBL1999541

SCHEMBL1999541

O=C(N[C@@H]1CCC[C@H]1O)c1cnc2c(c1)N(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CCO2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.46
CNR1 P21554 12/20 0.44
CNR2 P34972 3/20 0.44
CPT1A P50416 2/20 0.44
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL12570206 1.00 RORC (0.46) RORCCNR1CNR2CPT1AMEN1
SCHEMBL2002936 1.00 RORC (0.46) RORCCNR1CNR2CPT1AMEN1
SCHEMBL13669916 1.00 RORC (0.46) RORCCNR1CNR2CPT1AMEN1
SCHEMBL12570237 1.00 RORC (0.46) RORCCNR1CNR2CPT1AMEN1
SCHEMBL2006856 1.00 RORC (0.46) RORCCNR1CNR2CPT1AMEN1
SCHEMBL2001170 0.98 RORC (0.46) RORCCNR1CNR2CPT1AKMT2A
SCHEMBL13670208 0.98 RORC (0.46) RORCCNR1CNR2CPT1AKMT2A
SCHEMBL2001759 0.90 RORC (0.49) RORCCNR1CNR2CPT1AMEN1
SCHEMBL2000254 0.86 RORC (0.47) RORCCNR1CNR2CPT1AMEN1
SCHEMBL2000252 0.86 RORC (0.47) RORCCNR1CNR2CPT1AMEN1

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 RORC 122/4885CNR1 1/4885CNR2 2/4885

“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.