SCHEMBL4120923

SCHEMBL4120923

COC(=O)C(NC(=O)c1nc(-c2cc(F)c(F)cc2F)n2c1CN(C(=O)OC(C)(C)C)CCC2)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
TRPV3 Q8NET8 3/20 0.34
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
DPP4 P27487 2/20 0.34
CYBB P04839 1/20 0.34
NOX5 Q96PH1 1/20 0.34
NOX4 Q9NPH5 1/20 0.34
NOX1 Q9Y5S8 1/20 0.34
MAP3K5 Q99683 1/20 0.34
NR1H2 P55055 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
PTK2 Q05397 1/20 0.32
GALR2 O43603 1/20 0.32
GALR1 P47211 1/20 0.32
GCK P35557 1/20 0.32
DHODH Q02127 1/20 0.32

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
SCHEMBL4108510 1.00 CNR2 (0.43) CNR2TRPV3FABP4FABP5DPP4
SCHEMBL13798760 0.92 CNR2 (0.45) CNR2TRPV3FABP4FABP5DPP4
SCHEMBL4117157 0.87 CNR2 (0.38) CNR2TRPV3FABP4FABP5DPP4
SCHEMBL4117153 0.87 CNR2 (0.38) CNR2TRPV3FABP4FABP5DPP4
SCHEMBL4122489 0.87 CNR2 (0.57) CNR2DPP4
SCHEMBL1173988 0.85 CNR2 (0.60) CNR2FABP4FABP5CYBBNOX5
SCHEMBL1173986 0.85 CNR2 (0.60) CNR2FABP4FABP5CYBBNOX5
SCHEMBL1175493 0.83 CNR2 (0.46) CNR2TRPV3FABP4FABP5CYBB
SCHEMBL1175489 0.83 CNR2 (0.46) CNR2TRPV3FABP4FABP5CYBB
SCHEMBL4117175 0.83 CNR2 (0.41) CNR2TRPV3FABP4FABP5CYBB

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-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 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-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CNR2 2/4885TRPV3 18/4885FABP4 2199/4885

“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.