SCHEMBL25485348

SCHEMBL25485348

O=C(c1ccccc1)N1CCC2(CC1)O[C@@H]1OC[C@@H](c3ccccc3)N1C2=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.41
RIPK1 Q13546 3/20 0.41
NPC1L1 Q9UHC9 2/20 0.40
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
ACHE P22303 1/20 0.39
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DDB1 Q16531 2/20 0.37
SIGMAR1 Q99720 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
SCHEMBL25482830 0.81 L3MBTL3 (0.45) CRBNRIPK1NPC1L1HPGDACHE
SCHEMBL25188224 0.81 L3MBTL3 (0.45) CRBNRIPK1NPC1L1HPGDACHE
SCHEMBL25485315 0.79 CRBN (0.40) CRBNRIPK1NPC1L1HPGDALDH1A1
SCHEMBL25190327 0.78 CRBN (0.40) CRBNRIPK1NPC1L1HPGDALDH1A1
SCHEMBL25483631 0.78 RIPK1 (0.46) CRBNRIPK1HPGDALDH1A1HTT
SCHEMBL25484384 0.78 RIPK1 (0.46) CRBNRIPK1HPGDALDH1A1HTT
SCHEMBL25482881 0.74 HSD11B1 (0.48) RIPK1NPC1L1ALDH1A1ACHEL3MBTL1
SCHEMBL25484457 0.74 ACHE (0.43) CRBNRIPK1NPC1L1ALDH1A1ACHE
SCHEMBL25483806 0.74 HSD11B1 (0.48) RIPK1NPC1L1ALDH1A1ACHEL3MBTL1
SCHEMBL25483735 0.74 ACHE (0.43) CRBNRIPK1NPC1L1ALDH1A1ACHE

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-20230159558-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-05-25 US disclosed
US-20230159558-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-05-25 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-20230159558-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF RIPK1, RIPK3, RIPK4 CRBN 4505/4885RIPK1 1/4885NPC1L1 3031/4885

“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.