SCHEMBL20710309

SCHEMBL20710309

CCC(C)(C)C(=O)N1CCOC1c1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 10/20 0.50
DRD4 P21917 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNQ2 O43526 1/20 0.39
SCD5 Q86SK9 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDE5A O76074 1/20 0.38
LIPE Q05469 1/20 0.37
KIF11 P52732 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL20710319 0.85 RIPK1 (0.63) RIPK1L3MBTL1ALDH1A1
SCHEMBL20710310 0.85 RIPK1 (0.63) RIPK1L3MBTL1ALDH1A1
SCHEMBL17881980 0.85 RIPK1 (0.63) RIPK1L3MBTL1ALDH1A1
SCHEMBL17881960 0.81 RIPK1 (0.71) RIPK1DRD4KCNQ2SCD5ALDH1A1
SCHEMBL17881986 0.79 RIPK1 (0.80) RIPK1SCD5PDE5A
SCHEMBL20710358 0.77 RIPK1 (0.65) RIPK1L3MBTL1
SCHEMBL17881972 0.69 RIPK1 (0.69) RIPK1SCD5
SCHEMBL18997543 0.69 RIPK1 (0.52) RIPK1KCNQ2SCD5TDP1LIPE
SCHEMBL28167683 0.69 RIPK1 (0.58) RIPK1DRD4PDE5A
SCHEMBL19002800 0.67 DRD3 (0.48) SCD5TDP1

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-10555920-B2 Necrosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-02-11 US disclosed
US-20190038578-A1 Necrosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-02-07 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-20190038578-A1 Necrosis Inhibitors RIPK3, RIPK1, RIPK4 RIPK1 2/4885DRD4 4346/4885L3MBTL1 3530/4885
US-10555920-B2 Necrosis inhibitors RIPK3, RIPK1, RIPK4 RIPK1 2/4885DRD4 4346/4885L3MBTL1 3530/4885

“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.