SCHEMBL25816765

SCHEMBL25816765

O=C(C1CCNCC1)N1OCC[C@H]1c1cc(F)cc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 12/20 0.58
PARP2 Q9UGN5 1/20 0.35
PARP3 Q9Y6F1 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
AKT1 P31749 2/20 0.33
KDM1A O60341 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL25691604 1.00 RIPK1 (0.58) RIPK1PARP2PARP3HRH3AKT1
Hydrochloric Acid SCHEMBL30338677 0.99 RIPK1 (0.57) RIPK1PARP2PARP3HRH3AKT1
Hydrochloric Acid SCHEMBL22608906 0.99 RIPK1 (0.57) RIPK1PARP2PARP3HRH3AKT1
Trifluoroacetic Acid SCHEMBL30339077 0.93 RIPK1 (0.53) RIPK1PARP2PARP3HRH3AKT1
SCHEMBL25190408 0.89 RIPK1 (0.65) RIPK1KDM1A
SCHEMBL30420762 0.89 RIPK1 (0.65) RIPK1KDM1A
SCHEMBL31205814 0.88 RIPK1 (0.50) RIPK1HRH3
SCHEMBL31196571 0.86 RIPK1 (0.55) RIPK1
SCHEMBL31196431 0.86 RIPK1 (0.55) RIPK1
SCHEMBL31196394 0.84 RIPK1 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116547281-A Isoxazolidines as RIPK1 inhibitors and uses thereof 赛诺菲 2023-08-04 CN disclosed
US-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF SANOFI (FR) 2023-07-13 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 (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-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF RIPK1, RIPK4, RIPK2 RIPK1 1/4885PARP2 1641/4885PARP3 1527/4885

“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.