SCHEMBL25354967

SCHEMBL25354967

CCn1nc(CCO[Si](C(C)C)(C(C)C)C(C)C)c(=O)c2ccc(C(C)C)cc21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ AKR1B1 P15121 3/20 0.32
▸ CASR P41180 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ SLC22A12 Q96S37 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL25358880 0.84 ADORA2A (0.32) ADORA2AADORA2BESR1
SCHEMBL26909841 0.84 SLC22A12 (0.32) ADORA2AADORA2BESR1SLC22A12
SCHEMBL25354173 0.83 NR1D1 (0.34) ADORA2AADORA2BESR1CASRKDM4E
SCHEMBL26909890 0.81 RECQL (0.33) ADORA2AADORA2BKDM4EALDH1A1SLC22A12
SCHEMBL23084248 0.70 ADORA2A (0.42) ADORA2AADORA2BESR1CASRLMNA
SCHEMBL26997295 0.70 ADORA2A (0.59) ADORA2AADORA2BESR1LMNASLC22A12
SCHEMBL25357509 0.70 NLRP3 (0.38) AKR1B1
SCHEMBL25355877 0.70 NLRP3 (0.38) CASR
SCHEMBL25357255 0.69 NLRP3 (0.37) —
SCHEMBL20430543 0.69 ESR1 (0.41) ADORA2AADORA2BESR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4217346-B1 NEW COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2025-07-02 — — EP disclosed
US-20230391756-A1 NEW COMPOUND JANSSEN PHARMACEUTICA NV (BE) 2023-12-07 — — US disclosed
EP-4217346-A1 NEW COMPOUNDS JANSSEN Pharmaceutica NV (BE) 2023-08-02 — — EP disclosed
WO-2022063876-A1 NEW COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2022-03-31 — — 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-20230391756-A1 NEW COMPOUND NLRP3, NLRP1, IL1R1 ADORA2A 1777/4885ADORA2B 2002/4885ESR1 1151/4885

“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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