SCHEMBL22280124

SCHEMBL22280124

CN1CCC(S(N)(=O)=N[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.34
▸ HTR2A P28223 4/20 0.33
▸ HTR7 P34969 3/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SLC6A2 P23975 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ CNR2 P34972 1/20 0.31

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
SCHEMBL22280125 0.85 HTR6 (0.34) HTR6HTR2AHTR7HTR2CHTR1A
SCHEMBL22265876 0.72 CHRM3 (0.35) HTR6HTR2AHTR2CSLC6A2KMT2A
SCHEMBL22265851 0.71 KMT2A (0.36) HTR6HTR2AHTR2CSLC6A2KMT2A
SCHEMBL799175 0.67 HTR2A (0.55) HTR6HTR2AHTR2CDRD2L3MBTL1
SCHEMBL22265836 0.65 ALDH1A1 (0.38) L3MBTL1
SCHEMBL22265913 0.64 MCL1 (0.32) HTR6ATM
SCHEMBL17052883 0.63 NCF1 (0.38) —
SCHEMBL20609823 0.63 NCF1 (0.38) —
SCHEMBL22266033 0.63 NR3C2 (0.36) HTR6
SCHEMBL22280142 0.62 — —

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
US-20220227707-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-07-21 — — US disclosed
EP-3914583-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-12-01 — — EP disclosed
WO-2020154321-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-07-30 — — WO disclosed
WO-2020154321-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-07-30 — — 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-20220227707-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 HTR6 1592/4885HTR2A 2568/4885HTR7 2903/4885

“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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