SCHEMBL22012123

SCHEMBL22012123

CN(Cc1ccsc1Cl)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.38
SLC6A4 P31645 7/20 0.38
GBA1 P04062 1/20 0.36
MCHR1 Q99705 1/20 0.36
GLS O94925 1/20 0.36
RIPK1 Q13546 4/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNA1C Q13936 1/20 0.35
HTR2A P28223 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
HSD11B1 P28845 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
SCHEMBL11480586 0.80 RIPK1 (0.39) HTR2CSLC6A4GBA1GLSRIPK1
SCHEMBL23201921 0.79 RIPK1 (0.43) HTR2CSLC6A4GBA1GLSRIPK1
SCHEMBL21962737 0.79 RAB9A (0.37) RIPK1MEN1KMT2AHSD11B1
SCHEMBL8017533 0.78 HTR2C (0.47) HTR2CSLC6A4GBA1GLSRIPK1
SCHEMBL18327756 0.74 HTR2C (0.41) HTR2CSLC6A4MCHR1RIPK1CACNA1G
SCHEMBL3309158 0.74 HTR2C (0.36) HTR2CSLC6A4GBA1MCHR1GLS
SCHEMBL6121860 0.74 RIPK1 (0.61) GBA1RIPK1HSD11B1
SCHEMBL8169606 0.73 SLC6A4 (0.42) HTR2CSLC6A4MCHR1RIPK1CACNA1G
SCHEMBL29865792 0.73 POLB (0.44) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL15747297 0.73 HTR2C (0.43) HTR2CSLC6A4MCHR1RIPK1CACNA1G

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-3880659-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2024-01-03 EP disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 HTR2C 3684/4885SLC6A4 2720/4885GBA1 537/4885

“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.