SCHEMBL10091029

SCHEMBL10091029

Cc1noc([C@@H](NC(=O)c2nc(-c3ccc(F)c(F)c3)n3c2CN(C)C(C)CC3)C(C)(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
IDH1 O75874 4/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
HDAC4 P56524 6/20 0.32
HDAC6 Q9UBN7 3/20 0.32
HDAC1 Q13547 2/20 0.32
RIPK1 Q13546 1/20 0.32
BDKRB1 P46663 2/20 0.32
WNT1 P04628 1/20 0.31
DYRK1A Q13627 1/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
HDAC3 O15379 1/20 0.31
KCNH2 Q12809 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL10091094 0.93 CNR2 (0.36) CNR2IDH1RIPK1BDKRB1GRIN1
SCHEMBL4116070 0.87 CNR2 (0.51) CNR2IDH1HCRTR1HCRTR2HDAC4
SCHEMBL4116076 0.87 CNR2 (0.51) CNR2IDH1HCRTR1HCRTR2HDAC4
SCHEMBL10091050 0.85 TP53 (0.43)
SCHEMBL10090971 0.84 TP53 (0.44)
SCHEMBL10091065 0.84 CNR2 (0.42) CNR2IDH1HDAC4HDAC6RIPK1
SCHEMBL10090997 0.83 CNR2 (0.43) CNR2
SCHEMBL10091011 0.83 CNR2 (0.40) CNR2IDH1HDAC4HDAC6HDAC1
SCHEMBL10091022 0.82 CNR2 (0.40) CNR2HDAC4HDAC6WNT1DYRK1A
SCHEMBL4117922 0.82 CNR2 (0.36) CNR2IDH1HDAC4HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835422-B2 Substituted imidazoheterocycle derivatives CARA THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
US-8835422-B2 Substituted imidazoheterocycle derivatives CARA THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
US-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2012-01-19 US disclosed
US-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2012-01-19 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-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CNR1, CNR2, HRH1 CNR2 2/4885IDH1 2717/4885HCRTR1 38/4885

“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.