SCHEMBL1999390

SCHEMBL1999390

O=C(N[C@H]1CCC[C@@H]1O)c1cnc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1F)CCO2

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.51
RORC P51449 3/20 0.45
CNR1 P21554 15/20 0.43
CNR2 P34972 1/20 0.40
TACR2 P21452 1/20 0.40

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
SCHEMBL12570208 1.00 CPT1A (0.51) CPT1ARORCCNR1CNR2TACR2
SCHEMBL13669916 0.83 RORC (0.46) CPT1ARORCCNR1CNR2
SCHEMBL12570237 0.83 RORC (0.46) CPT1ARORCCNR1CNR2
SCHEMBL12570206 0.83 RORC (0.46) CPT1ARORCCNR1CNR2
SCHEMBL2006856 0.83 RORC (0.46) CPT1ARORCCNR1CNR2
SCHEMBL1999541 0.83 RORC (0.46) CPT1ARORCCNR1CNR2
SCHEMBL2002936 0.83 RORC (0.46) CPT1ARORCCNR1CNR2
SCHEMBL2006104 0.82 CPT1A (0.59) CPT1ARORC
SCHEMBL2001170 0.81 RORC (0.46) CPT1ARORCCNR1CNR2
SCHEMBL13670208 0.81 RORC (0.46) CPT1ARORCCNR1CNR2

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 122/4885CNR1 1/4885

“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.