SCHEMBL20580221

SCHEMBL20580221

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.39
NR3C2 P08235 1/20 0.37
TRPA1 O75762 1/20 0.37
CCR1 P32246 2/20 0.36
RIPK1 Q13546 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TACR1 P25103 1/20 0.35
CACNA1H O95180 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CACNA1C Q13936 1/20 0.35

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
SCHEMBL20580157 1.00 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL22210984 0.88 TRPA1 (0.35) ALDH1A1CYP1A2CYP3A4CYP2C19TRPA1
SCHEMBL20580703 0.88 TRPA1 (0.35) ALDH1A1CYP1A2CYP3A4CYP2C19TRPA1
SCHEMBL22210985 0.88 TRPA1 (0.35) ALDH1A1CYP1A2CYP3A4CYP2C19TRPA1
SCHEMBL18921276 0.87 TRPA1 (0.34) ALDH1A1CYP1A2CYP3A4CYP2C19NR3C2
SCHEMBL18921274 0.87 TRPA1 (0.34) ALDH1A1CYP1A2CYP3A4CYP2C19NR3C2
SCHEMBL29966743 0.87 TRPA1 (0.34) ALDH1A1CYP1A2CYP3A4CYP2C19NR3C2
SCHEMBL18921520 0.87 TRPA1 (0.34) ALDH1A1CYP1A2CYP3A4CYP2C19NR3C2
SCHEMBL20580690 0.85 RIPK1 (0.50) ALDH1A1RIPK1HRH3HTT
SCHEMBL20580286 0.83 TACR1 (0.34) ALDH1A1CYP1A2CYP3A4CYP2C19TRPA1

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 ALDH1A1 4555/4885CYP1A2 4790/4885CYP3A4 4586/4885
US-10709692-B2 Isoxazolidine derived inhibitors of receptor interacting protein kinase 1 (RIPK1) RIPK1, RIPK2, RIPK3 ALDH1A1 4555/4885CYP1A2 4790/4885CYP3A4 4586/4885

“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.