SCHEMBL1999963

SCHEMBL1999963

CC(C)CNC(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.56
CPT1A P50416 10/20 0.51
CPT1B Q92523 8/20 0.51
CPT2 P23786 6/20 0.51
RORC P51449 2/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
POLB P06746 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
CASP6 P55212 1/20 0.44
PTPN11 Q06124 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL1997840 0.90 CYP2C9 (0.56) CYP2C9CPT1ACPT1BCPT2
SCHEMBL4055322 0.90 CYP2C9 (0.56) CYP2C9CPT1ACPT1BCPT2NR1H3
SCHEMBL2001755 0.84 RORC (0.55) CYP2C9CPT1ARORCNR1H2NR1H3
SCHEMBL2001874 0.81 CNR1 (0.66) CPT1ACPT1BCPT2RORCNR1H2
SCHEMBL2001650 0.80 CNR1 (0.67) CYP2C9CPT1ACPT1BCPT2RORC
SCHEMBL28823982 0.79 RORC (0.66) CYP2C9CPT1ACPT1BCPT2RORC
SCHEMBL5021967 0.78 CPT1A (0.60) CYP2C9CPT1ACPT1BCPT2RORC
SCHEMBL5021974 0.77 CPT1A (0.56) CYP2C9CPT1ACPT1BCPT2RORC
SCHEMBL5021972 0.76 CPT1A (0.58) CYP2C9CPT1ACPT1BCPT2RORC
SCHEMBL25442267 0.75 NR1H3 (0.50) CYP2C9CPT1ACPT1BCPT2RORC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960376-B2 Benzo-fused heterocycles CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-20090075973-A1 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 US disclosed
WO-2009035997-A2 BENZO-FUSED HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-03-19 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-20090075973-A1 BENZO-FUSED HETEROCYCLES CNR1, CNR2, TRPV1 CYP2C9 210/4885CPT1A 1957/4885CPT1B 4018/4885

“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.