SCHEMBL2000929

SCHEMBL2000929

O=C(NCC1CC1)c1cnc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CCO2

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.54
SMN1; SMN2 Q16637 5/20 0.51
LMNA P02545 4/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
CPT1A P50416 2/20 0.51
CXCR3 P49682 3/20 0.42
CACNA1I Q9P0X4 3/20 0.41
MAPT P10636 1/20 0.41
KCNH2 Q12809 1/20 0.41
GABRA5 P31644 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
SCHEMBL2008950 0.87 RORC (0.53) RORCSMN1; SMN2LMNAKDM4EHTT
SCHEMBL2001367 0.84 RORC (0.55) RORCHTTCPT1A
SCHEMBL2001536 0.82 RORC (0.58) RORCCPT1AMAPT
SCHEMBL2002410 0.82 CPT1A (0.57) RORCCPT1AMAPT
SCHEMBL1996960 0.80 SMN1; SMN2 (0.52) RORCSMN1; SMN2LMNAHTT
SCHEMBL2000318 0.78 RORC (0.49) RORCHTTCPT1AMAPT
SCHEMBL2002521 0.76 RORC (0.55) RORCCPT1A
SCHEMBL2001755 0.76 RORC (0.55) RORCCPT1A
SCHEMBL2000593 0.76 CPT1A (0.51) RORCSMN1; SMN2CPT1AMAPT
SCHEMBL1996576 0.76 CPT1A (0.51) RORCSMN1; SMN2KDM4ECPT1AMAPT

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 RORC 122/4885SMN1; SMN2 4017/4885LMNA 3572/4885

“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.