SCHEMBL20580703

SCHEMBL20580703

CC(C(=O)N1OCC[C@H]1c1ccc(F)cc1)C(F)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
SLC6A3 Q01959 4/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
CCR1 P32246 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CACNA1H O95180 1/20 0.33
CACNA1C Q13936 1/20 0.33
RIPK1 Q13546 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL22210985 1.00 TRPA1 (0.35) TRPA1SLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL22210984 1.00 TRPA1 (0.35) TRPA1SLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL20580221 0.88 ALDH1A1 (0.42) TRPA1ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL20580157 0.88 ALDH1A1 (0.42) TRPA1ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL22210945 0.85 USP30 (0.39) RIPK1
SCHEMBL22210887 0.85 USP30 (0.39) RIPK1
SCHEMBL18921424 0.85 USP30 (0.39) RIPK1
SCHEMBL22210884 0.85 USP30 (0.39) RIPK1
SCHEMBL18921294 0.85 USP30 (0.39) RIPK1
SCHEMBL18921377 0.85 USP30 (0.39) RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10709692-B2 Isoxazolidine derived inhibitors of receptor interacting protein kinase 1 (RIPK1) DENALI THERAPEUTICS INC. (US) 2020-07-14 US disclosed
US-10709692-B2 Isoxazolidine derived inhibitors of receptor interacting protein kinase 1 (RIPK1) DENALI THERAPEUTICS INC. (US) 2020-07-14 US disclosed
US-20180353480-A1 ISOXAZOLIDINE DERIVED INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE 1 (RIPK1) APTUIT (VERONA) S.R.L. (IT) 2018-12-13 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-20180353480-A1 ISOXAZOLIDINE DERIVED INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE 1 (RIPK1) RIPK1, RIPK2, RIPK3 TRPA1 4105/4885SLC6A3 4475/4885SLC6A2 4766/4885
US-10709692-B2 Isoxazolidine derived inhibitors of receptor interacting protein kinase 1 (RIPK1) RIPK1, RIPK2, RIPK3 TRPA1 4105/4885SLC6A3 4475/4885SLC6A2 4766/4885

“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.