SCHEMBL2005390

SCHEMBL2005390

O=C(O)c1cnc2c(c1)N(S(=O)(=O)N1CCC(F)CC1)CCO2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.42
RORC P51449 4/20 0.35
POLB P06746 2/20 0.35
CYP2C19 P33261 2/20 0.35
MAPT P10636 2/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 1/20 0.32
LMNA P02545 2/20 0.32
MGAM O43451 1/20 0.32

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
SCHEMBL1999582 0.90 CPT1A (0.41) CPT1ARORCPOLBCYP2C19MAPT
SCHEMBL1997441 0.90 CPT1A (0.43) CPT1APOLBALDH1A1SMN1; SMN2TSHR
SCHEMBL2000724 0.90 CPT1A (0.44) CPT1ARORCPOLBCYP2C19MAPT
SCHEMBL2002060 0.89 CPT1A (0.44) CPT1ARORCPOLBMAPTALDH1A1
SCHEMBL2008008 0.87 CPT1A (0.44) CPT1ARORCPOLBMAPTALDH1A1
SCHEMBL2000863 0.87 CPT1A (0.43) CPT1A
SCHEMBL2005066 0.87 CPT1A (0.42) CPT1AALDH1A1
SCHEMBL4238185 0.86 CPT1A (0.42) CPT1ARORCPOLBMGAM
SCHEMBL2003877 0.85 CPT1A (0.45) CPT1ARORCPOLBALDH1A1SMN1; SMN2
SCHEMBL1998105 0.85 CPT1A (0.45) CPT1ARORCALDH1A1SMN1; SMN2

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 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 CPT1A 3067/4885RORC 122/4885POLB 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.