SCHEMBL17453077

SCHEMBL17453077

CC(C)C(=O)N1CCC[C@H]1c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.64
HSP90AA1 P07900 1/20 0.52
HSP90AB1 P08238 1/20 0.52
ADAM17 P78536 5/20 0.52
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA7 P36544 1/20 0.51
CHRNA4 P43681 1/20 0.51
EPHX2 P34913 2/20 0.50
HSD11B1 P28845 1/20 0.50
BCHE P06276 1/20 0.49
SCD5 Q86SK9 3/20 0.49
SCD O00767 1/20 0.49

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
SCHEMBL14252999 1.00 RIPK1 (0.64) RIPK1HSP90AA1HSP90AB1ADAM17CHRNB2
SCHEMBL26763796 0.90 RIPK1 (0.62) RIPK1HSP90AA1HSP90AB1ADAM17CHRNB2
SCHEMBL28873931 0.87 RIPK1 (0.59) RIPK1HSP90AA1HSP90AB1ADAM17CHRNB2
SCHEMBL28873927 0.87 RIPK1 (0.59) RIPK1HSP90AA1HSP90AB1ADAM17CHRNB2
SCHEMBL17453074 0.86 RIPK1 (0.48) RIPK1HSP90AA1HSP90AB1ADAM17
SCHEMBL17453078 0.85 RIPK1 (0.47) RIPK1HSP90AA1HSP90AB1ADAM17BCHE
SCHEMBL17453076 0.85 CCNC (0.49) RIPK1ADAM17SCD5
SCHEMBL17453070 0.85 HSD11B1 (0.51) RIPK1ADAM17HSD11B1
SCHEMBL27460000 0.84 RIPK1 (0.56) RIPK1HSP90AA1HSP90AB1ADAM17HSD11B1
SCHEMBL17454944 0.82 RIPK1 (0.69) RIPK1HSP90AA1HSP90AB1CHRNB2CHRNB4

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 RIPK1 1591/4885HSP90AA1 2834/4885HSP90AB1 2368/4885

“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.