SCHEMBL29305111

SCHEMBL29305111

CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1c1cncc(F)c1O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GPR119 Q8TDV5 4/20 0.36
▸ ROCK2 O75116 8/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ RIPK1 Q13546 1/20 0.33
▸ SPR P35270 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 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
SCHEMBL30036974 1.00 CYP1A2 (0.39) CYP1A2POLBCYP3A4CYP2C19GPR119
SCHEMBL29305101 0.86 CYP1A2 (0.39) CYP1A2POLBCYP3A4CYP2C19GPR119
SCHEMBL29305106 0.86 CYP1A2 (0.39) CYP1A2POLBCYP3A4CYP2C19GPR119
SCHEMBL30037435 0.83 CYP1A2 (0.40) CYP1A2POLBCYP3A4CYP2C19GPR119
SCHEMBL29305119 0.83 CYP1A2 (0.40) CYP1A2POLBCYP3A4CYP2C19GPR119
SCHEMBL29305109 0.83 GPR119 (0.35) GPR119SPR
SCHEMBL29305324 0.83 GPR119 (0.35) GPR119SPR
SCHEMBL30026923 0.83 CYP1A2 (0.41) CYP1A2POLBCYP3A4CYP2C19ROCK2
SCHEMBL27159287 0.82 ROCK2 (0.34) ROCK2RIPK1PIK3CD
SCHEMBL27159533 0.82 ROCK2 (0.34) ROCK2RIPK1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228506-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-07-11 — — US disclosed
US-20240228506-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-07-11 — — US disclosed
US-20240228506-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-07-11 — — US disclosed
EP-4329766-A1 RIPK1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-03-06 — — EP disclosed
WO-2022231928-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2022-11-03 — — WO 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-20240228506-A1 RIPK1 INHIBITORS AND METHODS OF USE RIPK1, RIPK2, RIPK3 CYP1A2 4751/4885POLB 3283/4885CYP3A4 4838/4885

“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.

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