SCHEMBL1997586

SCHEMBL1997586

CC(C)(C)N(CCC#N)C(=O)c1cnc2c(c1)N([S+]([O-])c1ccc(C(F)(F)F)cc1)CCO2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.31
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 1/20 0.31
PIK3CA P42336 1/20 0.30
MLYCD O95822 1/20 0.30
SCN9A Q15858 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL1998304 0.90 HIF1A (0.32) HIF1AEPAS1PIK3CAMLYCD
SCHEMBL2001763 0.89 CNR2 (0.34) HIF1AEPAS1PIK3CASCN9A
SCHEMBL1999400 0.88 HIF1A (0.31) HIF1AEPAS1PIK3CA
SCHEMBL2000721 0.88 SCN9A (0.35) GPBAR1HIF1AEPAS1PIK3CASCN9A
SCHEMBL2000839 0.83 RORC (0.39) RORC
SCHEMBL1998217 0.81 TP53 (0.35) HIF1AEPAS1PIK3CAMLYCDSCN9A
SCHEMBL2002471 0.78 MEN1 (0.42) MLYCD
SCHEMBL2008902 0.78 CPT1A (0.35) HIF1AEPAS1PIK3CARORC
SCHEMBL2001814 0.77 CNR1 (0.40) HIF1AEPAS1PIK3CARORC
SCHEMBL2005665 0.77 HTT (0.37) HIF1AEPAS1PIK3CARORC

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 2 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-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 US 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 GPBAR1 130/4885HIF1A 2357/4885EPAS1 1260/4885

“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.