SCHEMBL1998249

SCHEMBL1998249

CN1CCN(S(=O)(=O)N2CCOc3ncc(C(=O)NC(C)(C)C)cc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.46
HPGDS O60760 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
RORC P51449 4/20 0.35
POLB P06746 3/20 0.33
MAPT P10636 1/20 0.33
SMYD3 Q9H7B4 7/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 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
SCHEMBL2003304 0.92 CPT1A (0.47) CPT1AHPGDSNPC1RAB9ARORC
SCHEMBL2002310 0.91 CPT1A (0.47) CPT1AHPGDSRORCPOLB
SCHEMBL2006076 0.91 CPT1A (0.47) CPT1AHPGDSRORC
SCHEMBL1999401 0.91 CPT1A (0.44) CPT1ARORCPOLBHDAC3HDAC4
SCHEMBL2005427 0.88 CPT1A (0.49) CPT1AHPGDSNPC1RAB9ARORC
SCHEMBL2002514 0.88 CPT1A (0.45) CPT1AHPGDSNPC1RORC
SCHEMBL1998105 0.88 CPT1A (0.45) CPT1AHPGDSNPC1RAB9ARORC
SCHEMBL2001296 0.88 CPT1A (0.47) CPT1AHPGDSNPC1RAB9ARORC
SCHEMBL2005672 0.87 CPT1A (0.44) CPT1AHPGDSRORCMAPTHDAC3
SCHEMBL2001377 0.87 CPT1A (0.44) CPT1AHPGDSRORC

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 3067/4885HPGDS 372/4885NPC1 1554/4885

“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.