SCHEMBL23319862

SCHEMBL23319862

CC(C)c1cc(COC2CCCC2)cc(C(C)C)c1CC(=O)Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.38
LNPEP Q9UIQ6 1/20 0.34
GLRA1 P23415 1/20 0.33
CNR2 P34972 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
NLRP3 Q96P20 1/20 0.31
LPAR1 Q92633 1/20 0.31
GRM5 P41594 1/20 0.31
BCHE P06276 1/20 0.31
CYP19A1 P11511 2/20 0.31
FFAR1 O14842 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 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
SCHEMBL20698935 0.88 THRA (0.40) SCN9ALNPEPMEN1KMT2APTGS1
SCHEMBL23319823 0.83 CACNA1B (0.35) SCN9ALNPEPMEN1KMT2ACYP19A1
SCHEMBL25139028 0.82 GRM5 (0.31) LNPEPGRM5
SCHEMBL25066945 0.80 GRM5 (0.34) SCN9AMEN1KMT2AGRM5SLC6A2
SCHEMBL25139050 0.80 SCN9A (0.30) SCN9AGRM5
SCHEMBL23319858 0.79 GLRA1 (0.38) GLRA1THRATHRBLPAR1ALDH1A1
SCHEMBL10608901 0.74 MEN1 (0.38) LNPEPMEN1KMT2AGRM5
SCHEMBL21962332 0.70 FFAR1 (0.40) FFAR1KCNH2
SCHEMBL8136292 0.70 FABP4 (0.50) GLRA1LPAR1
SCHEMBL20681156 0.69 NLRP3 (0.40) GLRA1NLRP3LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395241-A1 NLRP MODULATORS NOVARTIS INFLAMMASOME RESEARCH, INC. 2021-12-23 US disclosed
CN-113613721-A NLRP modulators 诺华股份有限公司 2021-11-05 CN disclosed
EP-3817815-A1 NLRP MODULATORS Novartis AG (CH) 2021-05-12 EP 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-20210395241-A1 NLRP MODULATORS NLRP1, NLRP3, NOD1 SCN9A 1361/4885LNPEP 248/4885GLRA1 1914/4885

“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.