SCHEMBL2002907

SCHEMBL2002907

CC(C)(CN1CCCCC1)NC(=O)c1cnc2c(c1)N([S+]([O-])c1ccc(C(F)(F)F)cc1)CCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.44
NAMPT P43490 2/20 0.34
HIF1A Q16665 2/20 0.34
EPAS1 Q99814 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
EPHX2 P34913 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
KDR P35968 1/20 0.33
SRPK2 P78362 1/20 0.33
SRPK1 Q96SB4 1/20 0.33
SRPK3 Q9UPE1 1/20 0.33
NR3C1 P04150 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2008087 0.99 HDAC4 (0.45) HDAC4NAMPTHIF1AEPAS1CHRNB2
SCHEMBL2001814 0.89 CNR1 (0.40) HDAC4HIF1AEPAS1MAPTCPT1A
SCHEMBL2005665 0.89 HTT (0.37) HDAC4HIF1AEPAS1MAPTHTT
SCHEMBL2008902 0.87 CPT1A (0.35) HIF1AEPAS1KDM4EMAPTCPT1A
SCHEMBL2006808 0.83 HDAC4 (0.45) HDAC4EPHX2MAPTHTTCPT1A
SCHEMBL2002698 0.83 HIF1A (0.34) HIF1AEPAS1MAPTCPT1AALDH1A1
SCHEMBL2001369 0.82 HDAC4 (0.45) HDAC4EPHX2MAPTHTTCPT1A
SCHEMBL1999329 0.82 RORC (0.36) HIF1AEPAS1EPHX2CPT1A
SCHEMBL2000002 0.81 HPGD (0.47) EPHX2KDM4EMEN1KMT2AHPGD
SCHEMBL1999403 0.79 SCN9A (0.36) HDAC4HIF1AEPAS1MAPTALDH1A1

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 HDAC4 1922/4885NAMPT 1519/4885HIF1A 2357/4885

“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.