SCHEMBL4125400

SCHEMBL4125400

Cc1noc(C(NC(=O)c2nc(-c3cc(F)c(F)cc3F)n3c2CN(C(=O)OC(C)(C)C)CCC3)C(C)(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.35
HRH3 Q9Y5N1 4/20 0.34
GPR119 Q8TDV5 3/20 0.34
TRPV3 Q8NET8 3/20 0.32
CYBB P04839 1/20 0.32
NOX5 Q96PH1 1/20 0.32
NOX4 Q9NPH5 1/20 0.32
NOX1 Q9Y5S8 1/20 0.32
DPP4 P27487 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
MAP3K5 Q99683 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PTPN1 P18031 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
SCHEMBL4125404 1.00 CNR2 (0.35) CNR2HRH3GPR119TRPV3CYBB
SCHEMBL1175760 0.92 HRH3 (0.36) CNR2HRH3GPR119TRPV3CYBB
SCHEMBL1175758 0.92 HRH3 (0.36) CNR2HRH3GPR119TRPV3CYBB
SCHEMBL4122075 0.87 CNR2 (0.47) CNR2HRH3
SCHEMBL4122082 0.87 CNR2 (0.47) CNR2HRH3
SCHEMBL1174470 0.87 CNR2 (0.49) CNR2GPR119CYBBNOX5NOX4
SCHEMBL1174472 0.87 CNR2 (0.49) CNR2GPR119CYBBNOX5NOX4
SCHEMBL4117153 0.83 CNR2 (0.38) CNR2HRH3TRPV3CYBBNOX5
SCHEMBL13798760 0.83 CNR2 (0.45) CNR2TRPV3CYBBNOX5NOX4
SCHEMBL4117157 0.83 CNR2 (0.38) CNR2HRH3TRPV3CYBBNOX5

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 2/4885HRH3 34/4885GPR119 152/4885

“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.