SCHEMBL17453070

SCHEMBL17453070

CC(C)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.51
CCNC P24863 12/20 0.50
CDK8 P49336 12/20 0.50
ADAM17 P78536 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
RIPK1 Q13546 1/20 0.47
DRD2 P14416 1/20 0.47
GSK3A P49840 1/20 0.47
CDK9 P50750 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ROCK2 O75116 2/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46

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
SCHEMBL17453074 0.87 RIPK1 (0.48) CCNCCDK8ADAM17RIPK1ROCK2
SCHEMBL17453078 0.85 RIPK1 (0.47) CCNCCDK8ADAM17RIPK1
SCHEMBL17453076 0.85 CCNC (0.49) CCNCCDK8ADAM17RIPK1ROCK2
SCHEMBL17453077 0.85 RIPK1 (0.64) HSD11B1ADAM17RIPK1
SCHEMBL14252999 0.85 RIPK1 (0.64) HSD11B1ADAM17RIPK1
SCHEMBL17454943 0.83 HSD11B1 (0.54) HSD11B1CCNCCDK8SMN1; SMN2RIPK1
SCHEMBL17142312 0.81 HSD11B1 (0.59) HSD11B1CCNCCDK8ADAM17SMN1; SMN2
SCHEMBL18406186 0.77 ALDH1A1 (0.52) HSD11B1CCNCCDK8SMN1; SMN2RIPK1
SCHEMBL14920930 0.77 HSD11B1 (0.54) HSD11B1CCNCCDK8SMN1; SMN2RIPK1
SCHEMBL11457784 0.77 RIPK1 (0.39) HSD11B1ADAM17RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 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-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS CDK8, CDK9, CDK18 HSD11B1 2065/4885CCNC 31/4885CDK8 1/4885

“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.