SCHEMBL22654985

SCHEMBL22654985

CN1CCOCC1CNc1ccc(Cl)nn1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IL1B P01584 2/20 0.54
▸ MALT1 Q9UDY8 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.38
▸ ACHE P22303 1/20 0.35
▸ POLR1A O95602 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33

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
SCHEMBL29566343 1.00 IL1B (0.54) IL1BMALT1HRH3ACHEPOLR1A
SCHEMBL22654933 0.71 IL1B (1.00) IL1B
SCHEMBL22655089 0.70 ACHE (0.67) IL1BHRH3ACHEALDH1A1RAB9A
SCHEMBL22655091 0.70 ACHE (0.67) IL1BHRH3ACHEALDH1A1RAB9A
SCHEMBL22639887 0.69 SIGMAR1 (0.55) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL29566823 0.68 ACHE (0.46) IL1BHRH3ACHE
SCHEMBL22655110 0.68 ACHE (0.46) IL1BHRH3ACHE
SCHEMBL21610612 0.67 MALT1 (0.37) IL1BMALT1POLR1A
SCHEMBL22010188 0.67 MALT1 (0.37) IL1BMALT1POLR1A
SCHEMBL18256577 0.67 MALT1 (0.37) IL1BMALT1POLR1A

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 8 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-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-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-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
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 IL1B 11/4885MALT1 3486/4885HRH3 453/4885
US-11254653-B2 NLRP3 inflammasome inhibitors NLRP3, NLRP1, NOD1 IL1B 11/4885MALT1 3486/4885HRH3 453/4885
US-20200361899-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 IL1B 11/4885MALT1 3486/4885HRH3 453/4885
US-11208399-B2 NLRP3 inflammasome inhibitors NLRP3, NLRP1, NOD1 IL1B 11/4885MALT1 3486/4885HRH3 453/4885

“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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