SCHEMBL1998105

SCHEMBL1998105

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.45
RORC P51449 5/20 0.36
HPGDS O60760 7/20 0.34
HPGD P15428 1/20 0.33
CNR2 P34972 1/20 0.32
ACKR3 P25106 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL2001377 0.93 CPT1A (0.44) CPT1ARORCHPGDSCNR2ACKR3
SCHEMBL2002514 0.92 CPT1A (0.45) CPT1ARORCHPGDSALDH1A1SMN1; SMN2
SCHEMBL2001296 0.92 CPT1A (0.47) CPT1ARORCHPGDSACKR3NPC1
SCHEMBL2006076 0.91 CPT1A (0.47) CPT1ARORCHPGDSCNR2SMN1; SMN2
SCHEMBL2003324 0.91 CPT1A (0.43) CPT1ARORCHPGDSHPGDACKR3
SCHEMBL2001898 0.91 CPT1A (0.43) CPT1ARORCCNR2NPC1RAB9A
SCHEMBL2003304 0.90 CPT1A (0.47) CPT1ARORCHPGDSNPC1RAB9A
SCHEMBL2002310 0.89 CPT1A (0.47) CPT1ARORCHPGDSCNR2SMN1; SMN2
SCHEMBL2000954 0.89 CPT1A (0.44) CPT1ARORCHPGDSALDH1A1NPC1
SCHEMBL1998249 0.88 CPT1A (0.46) CPT1ARORCHPGDSNPC1RAB9A

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 CPT1A 3067/4885RORC 122/4885HPGDS 372/4885

“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.