SCHEMBL4121097

SCHEMBL4121097

COC[C@@H](NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1CN(C(=O)OC(C)(C)C)CCC2)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
GCK P35557 8/20 0.38
MMP13 P45452 1/20 0.36
TRPV3 Q8NET8 3/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 2/20 0.34
CYBB P04839 1/20 0.33
NOX5 Q96PH1 1/20 0.33
NOX4 Q9NPH5 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL4121095 1.00 CNR2 (0.40) CNR2GCKMMP13TRPV3MEN1
SCHEMBL13798754 0.92 CNR2 (0.41) CNR2GCKMMP13TRPV3MEN1
SCHEMBL4121686 0.88 CNR2 (0.53) CNR2LMNATP53THRB
SCHEMBL4121684 0.88 CNR2 (0.53) CNR2LMNATP53THRB
SCHEMBL4119856 0.79 CNR2 (0.55) CNR2LMNATP53THRB
SCHEMBL4119853 0.79 CNR2 (0.55) CNR2LMNATP53THRB
SCHEMBL4126162 0.79 CNR2 (0.55) CNR2LMNATP53THRB
SCHEMBL1174720 0.77 LMNA (0.41) CNR2MEN1KMT2ALMNATP53
SCHEMBL1174719 0.77 LMNA (0.41) CNR2MEN1KMT2ALMNATP53
SCHEMBL4120923 0.77 CNR2 (0.43) CNR2GCKTRPV3MEN1KMT2A

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 CNR2 2/4885GCK 3842/4885MMP13 2547/4885

“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.