SCHEMBL22489864

SCHEMBL22489864

CCc1cnccc1-c1cccc(C(C)(C)N)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
PRKCQ Q04759 5/20 0.42
KIF11 P52732 1/20 0.42
GPBAR1 Q8TDU6 6/20 0.42
CYP17A1 P05093 1/20 0.38
PTPN5 P54829 1/20 0.38
LRRK2 Q5S007 1/20 0.38
KCNA5 P22460 1/20 0.37
KCNH2 Q12809 1/20 0.37
JAK2 O60674 1/20 0.37
ROCK2 O75116 1/20 0.37
PRKCD Q05655 1/20 0.37
ROCK1 Q13464 1/20 0.37
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
PPID Q08752 1/20 0.36

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
SCHEMBL22489779 0.81 CYP17A1 (0.46) CCNCCDK8PRKCQKIF11GPBAR1
SCHEMBL11652269 0.80 MEN1 (0.51) CCNCCDK8CYP17A1LRRK2
SCHEMBL22489894 0.79 CCNC (0.41) CCNCCDK8GPBAR1
SCHEMBL22489835 0.78 AAK1 (0.46) PRKCQKIF11GPBAR1CYP17A1PTPN5
SCHEMBL17520239 0.77 CCNC (0.48) CCNCCDK8GPBAR1LRRK2
SCHEMBL20371450 0.77 SLC22A12 (0.53) CCNCCDK8GPBAR1CYP17A1KCNA5
SCHEMBL22489796 0.75 TSHR (0.47) GPBAR1GRIN1GRIN2B
SCHEMBL22489858 0.75 GPBAR1 (0.39) CCNCCDK8GPBAR1
SCHEMBL14927060 0.75 CCNC (0.51) CCNCCDK8GPBAR1CYP17A1KCNA5
Bromide SCHEMBL29018736 0.74 CCNC (0.50) CCNCCDK8GPBAR1KCNA5KCNH2

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-11236055-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2022-02-01 US disclosed
US-20200308122-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2020-10-01 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 (2 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-20200308122-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS GPR119, SSTR5, FFAR3 CCNC 4831/4885CDK8 4427/4885PRKCQ 2557/4885
US-11236055-B2 Non-systemic TGR5 agonists SSTR5, GPR119, FFAR3 CCNC 4830/4885CDK8 4479/4885PRKCQ 2688/4885

“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.