SCHEMBL1999769

SCHEMBL1999769

O=C(c1cnc2c(c1)N(S(=O)(=O)c1ccccc1)CCO2)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.47
HPGD P15428 4/20 0.47
LMNA P02545 1/20 0.47
RORC P51449 4/20 0.45
NR1H3 Q13133 1/20 0.44
MAPT P10636 1/20 0.42
GRM5 P41594 2/20 0.42
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL2005449 0.92 TSHR (0.47) CPT1AHPGDLMNARORCNR1H3
SCHEMBL2001989 0.88 HPGD (0.48) CPT1AHPGDLMNARORCNR1H3
SCHEMBL2007284 0.87 CPT1A (0.52) CPT1ARORCNR1H3
SCHEMBL2003367 0.85 CPT1A (0.52) CPT1ARORCNR1H3NPC1
SCHEMBL1997689 0.84 RORC (0.47) CPT1ALMNARORC
SCHEMBL1997063 0.83 RORC (0.48) CPT1AHPGDRORCMAPTALDH1A1
SCHEMBL2001117 0.82 CPT1A (0.56) CPT1ARORCNR1H3MAPTNPC1
SCHEMBL2004171 0.80 EPHX2 (0.47) HPGDRORCNR1H3ALDH1A1
SCHEMBL2001102 0.80 CPT1A (0.56) CPT1ARORCNR1H3NPC1
SCHEMBL2001969 0.79 CPT1A (0.47) CPT1AHPGDRORCNR1H3ALDH1A1

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 9 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
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 3067/4885HPGD 682/4885LMNA 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.