SCHEMBL2007149

SCHEMBL2007149

O=C(NC1CCCC1)c1cnc2c(c1)N(S(=O)(=O)c1cccc(F)c1)CCO2

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
RORC P51449 4/20 0.49
GAA P10253 1/20 0.48
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
CPT1A P50416 1/20 0.44
HTR6 P50406 1/20 0.44
GRM5 P41594 1/20 0.43

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
SCHEMBL2006093 0.90 CNR1 (0.59) KMT2ARORCGAACNR1CNR2
SCHEMBL2002709 0.88 GAA (0.46) RORCGAACNR1CNR2HTT
SCHEMBL2003923 0.85 CNR1 (0.49) KMT2ARORCGAACNR1CNR2
SCHEMBL2001514 0.85 CPT1A (0.50) RORCGAACNR1CNR2CPT1A
SCHEMBL2001367 0.85 RORC (0.55) KMT2ARORCGAACNR1CNR2
SCHEMBL2001468 0.84 RORC (0.51) RORCHTTCPT1AHTR6
SCHEMBL2001745 0.84 RORC (0.51) KMT2ARORCHTTCPT1AHTR6
SCHEMBL2001759 0.83 RORC (0.49) KMT2ARORCGAACNR1CNR2
SCHEMBL2004220 0.79 CPT1A (0.43) KMT2AGAACNR1CNR2MEN1
SCHEMBL2000254 0.78 RORC (0.47) KMT2ARORCGAACNR1CNR2

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 KMT2A 3804/4885RORC 122/4885GAA 4265/4885

“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.