SCHEMBL21962430

SCHEMBL21962430

CC1(C)OC[C@@](C)(c2nccs2)O1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 0.35
BACE1 P56817 1/20 0.34
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.31
CNR2 P34972 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
SCHEMBL21962360 1.00 ALOX5 (0.35) ALOX5BACE1ALDH1A1ALOX15CNR2
SCHEMBL12133616 0.79 BACE1 (0.35) BACE1ALDH1A1ALOX15CNR2
SCHEMBL1355838 0.76 OPRL1 (0.40) BACE1ALDH1A1ALOX15CNR2
SCHEMBL12133618 0.71 CNR2 (0.39) BACE1ALDH1A1ALOX15CNR2
SCHEMBL19508120 0.71 ALOX15 (0.36) BACE1ALDH1A1ALOX15CNR2
SCHEMBL15705419 0.69 CNR2 (0.31) BACE1ALDH1A1CNR2
SCHEMBL25034200 0.66 ALOX5 (0.36) ALOX5
SCHEMBL21962377 0.66 ALOX5 (0.36) ALOX5
SCHEMBL21962374 0.66 ALOX5 (0.36) ALOX5
SCHEMBL21962376 0.66 ALOX5 (0.36) ALOX5

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
EP-3880659-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP 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 ALOX5 796/4885BACE1 1043/4885ALDH1A1 1999/4885

“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.