SCHEMBL4122313

SCHEMBL4122313

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
ADORA1 P30542 1/20 0.39
CYBB P04839 1/20 0.37
NOX5 Q96PH1 1/20 0.37
NOX4 Q9NPH5 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
ATM Q13315 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BTK Q06187 1/20 0.34
NR1H2 P55055 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 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
SCHEMBL4118039 0.88 CYBB (0.39) DPP4CYBBNOX5NOX4NOX1
SCHEMBL1174728 0.83 CKS1B (0.48) ADORA1CYBBNOX5NOX4NOX1
SCHEMBL12866909 0.82 ADORA1 (0.42) ADORA1CYBBNOX5NOX4NOX1
SCHEMBL4108510 0.81 CNR2 (0.43) DPP4CYBBNOX5NOX4NOX1
SCHEMBL4120923 0.81 CNR2 (0.43) DPP4CYBBNOX5NOX4NOX1
SCHEMBL13798760 0.80 CNR2 (0.45) DPP4CYBBNOX5NOX4NOX1
SCHEMBL4117157 0.80 CNR2 (0.38) DPP4CYBBNOX5NOX4NOX1
SCHEMBL4117153 0.80 CNR2 (0.38) DPP4CYBBNOX5NOX4NOX1
SCHEMBL4117160 0.80 TRPV3 (0.35) DPP4CYBBNOX5NOX4NOX1
SCHEMBL4126827 0.77 MEN1 (0.44) DPP4CYBBNOX5NOX4NOX1

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 6 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-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
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
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 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 DPP4 4359/4885ADORA1 378/4885CYBB 3849/4885

“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.