SCHEMBL22672008

SCHEMBL22672008

CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](Nc2ccc(Cl)nn2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4B Q07343 1/20 0.39
USP30 Q70CQ3 3/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
SSTR4 P31391 1/20 0.37
STS P08842 1/20 0.36
NAMPT P43490 1/20 0.36
NR1H2 P55055 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL29565945 1.00 ALDH1A1 (0.39) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL20936933 0.87 NR1H2 (0.45) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL20936797 0.87 NR1H2 (0.45) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL23523406 0.87 NR1H2 (0.45) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL23523331 0.87 NR1H2 (0.45) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL23545108 0.87 NR1H2 (0.45) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL29501522 0.87 NR1H2 (0.45) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL18890332 0.84 USP30 (0.50) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL22654897 0.83 JAK3 (0.38) ALDH1A1MAPTHTTKMT2ALMNA
SCHEMBL22671974 0.83 USP30 (0.48) ALDH1A1NPC1MAPTMAPK1HTT

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-11254653-B2 NLRP3 inflammasome inhibitors NOVARTIS AG (CH) 2022-02-22 US disclosed
US-11208399-B2 NLRP3 inflammasome inhibitors NOVARTIS AG (CH) 2021-12-28 US disclosed
US-20200361898-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS PHARMA AG (CH) 2020-11-19 US disclosed
US-20200361899-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS PHARMA AG (CH) 2020-11-19 US 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 (4 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-20200361898-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 ALDH1A1 2869/4885NPC1 296/4885MAPT 913/4885
US-11254653-B2 NLRP3 inflammasome inhibitors NLRP3, NLRP1, NOD1 ALDH1A1 2869/4885NPC1 296/4885MAPT 913/4885
US-20200361899-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 ALDH1A1 2869/4885NPC1 296/4885MAPT 913/4885
US-11208399-B2 NLRP3 inflammasome inhibitors NLRP3, NLRP1, NOD1 ALDH1A1 2869/4885NPC1 296/4885MAPT 913/4885

“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.