SCHEMBL2004141

SCHEMBL2004141

O=C(c1cnc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CCO2)N1CCCCC1CN1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.47
HRH3 Q9Y5N1 7/20 0.46
BRD4 O60885 4/20 0.45
BRD2 P25440 4/20 0.45
BRD3 Q15059 3/20 0.45
BRDT Q58F21 3/20 0.45
KCNH2 Q12809 2/20 0.45
ALK Q9UM73 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
RORC P51449 2/20 0.39
MET P08581 2/20 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
SCHEMBL2006988 0.96 BRD4 (0.51) OPRD1HRH3BRD4BRD2BRD3
SCHEMBL4054289 0.92 BRD4 (0.45) BRD4BRD2BRD3BRDTALDH1A1
SCHEMBL2002214 0.91 RHOC (0.41) BRD4BRD2BRD3BRDTALDH1A1
SCHEMBL12570153 0.89 RAB9A (0.40) BRD4BRD2BRD3BRDTALDH1A1
SCHEMBL12570152 0.88 RHOC (0.41) BRD4BRD2BRD3BRDTALDH1A1
SCHEMBL2002379 0.87 LMNA (0.47) LMNARORC
SCHEMBL2002378 0.87 LMNA (0.47) LMNARORC
SCHEMBL13670322 0.87 RORC (0.41) BRD4BRD2BRD3BRDTRORC
SCHEMBL2011173 0.86 TDP1 (0.48) BRD4ALDH1A1RORC
SCHEMBL13669971 0.86 TDP1 (0.48) BRD4ALDH1A1RORC

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 OPRD1 88/4885HRH3 23/4885BRD4 661/4885

“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.