SCHEMBL2007154

SCHEMBL2007154

COCC1CCCCN1C(=O)c1cnc2c(c1)N([S+]([O-])c1ccc(C(F)(F)F)cc1)CCO2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4B Q07343 1/20 0.39
ENPP2 Q13822 1/20 0.37
POLB P06746 2/20 0.37
SPHK2 Q9NRA0 2/20 0.36
SPHK1 Q9NYA1 1/20 0.36
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
PRMT5 O14744 1/20 0.35
LRRK2 Q5S007 2/20 0.35
RHOC P08134 1/20 0.35
RHOA P61586 1/20 0.35
GRM5 P41594 1/20 0.34
CNR2 P34972 1/20 0.34
ADORA2A P29274 1/20 0.34

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
SCHEMBL2002075 0.92 RHOC (0.39) RAB9AMEN1KMT2ASPHK2SPHK1
SCHEMBL2007329 0.87 KMT2A (0.41) RAB9ANPC1KMT2ASPHK2SPHK1
SCHEMBL12570153 0.84 RAB9A (0.40) RAB9ANPC1MEN1KMT2APDE4B
SCHEMBL2000002 0.81 HPGD (0.47) MEN1KMT2APOLBCNR2
SCHEMBL2002032 0.81 HSD11B1 (0.35) MEN1KMT2APOLB
SCHEMBL2007330 0.78 EPHX2 (0.47) POLB
SCHEMBL2006557 0.78 GAA (0.39) MEN1KMT2APOLB
SCHEMBL2004287 0.78 NPC1 (0.40) RAB9ANPC1KMT2ALRRK2
SCHEMBL2000721 0.76 SCN9A (0.35) KMT2APOLBCNR2
SCHEMBL12570152 0.76 RHOC (0.41) RAB9AMEN1KMT2ASPHK2RHOC

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 RAB9A 2694/4885NPC1 1554/4885MEN1 4453/4885

“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.