SCHEMBL29131882

SCHEMBL29131882

CN1CCC[C@H]1CNc1nnc(-c2ccc(C(F)(F)F)cc2O)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IL1B P01584 9/20 0.51
KAT2B Q92831 1/20 0.49
NLRP3 Q96P20 6/20 0.48
KCNH2 Q12809 1/20 0.45
CHRM3 P20309 4/20 0.42
CRHR1 P34998 1/20 0.39
TNF P01375 1/20 0.39

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
SCHEMBL29131887 1.00 IL1B (0.51) IL1BKAT2BNLRP3KCNH2CHRM3
SCHEMBL30214099 0.89 IL1B (0.50) IL1BKAT2BNLRP3KCNH2CHRM3
SCHEMBL28961810 0.89 IL1B (0.53) IL1BNLRP3KCNH2
SCHEMBL28961814 0.89 IL1B (0.53) IL1BNLRP3KCNH2
SCHEMBL30214212 0.87 IL1B (0.47) IL1BKAT2BNLRP3KCNH2TNF
Formic Acid SCHEMBL30994507 0.86 IL1B (0.47) IL1BKAT2BNLRP3KCNH2CHRM3
SCHEMBL29131858 0.84 IL1B (0.43) IL1BNLRP3KCNH2CHRM3
SCHEMBL29131855 0.84 IL1B (0.43) IL1BNLRP3KCNH2CHRM3
SCHEMBL27357230 0.83 NLRP3 (0.47) IL1BNLRP3KCNH2CRHR1TNF
SCHEMBL29275687 0.80 NLRP3 (0.44) IL1BNLRP3KCNH2TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262806-A1 INHIBITORS OF NLRP3 PCT THERAPEUTICS, INC. (US) 2024-08-08 US claimed
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 CN claimed
EP-4392414-A1 INHIBITORS OF NLRP3 PTC Therapeutics, Inc. (US) 2024-07-03 EP claimed
WO-2023028534-A1 INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-03-02 WO claimed
US-20240262806-A1 INHIBITORS OF NLRP3 PCT THERAPEUTICS, INC. (US) 2024-08-08 US disclosed
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 CN disclosed
EP-4392414-A1 INHIBITORS OF NLRP3 PTC Therapeutics, Inc. (US) 2024-07-03 EP disclosed
CN-116969920-A Fused pyridazine derivative, preparation method and medical application thereof 上海辉启生物医药科技有限公司 2023-10-31 CN disclosed
WO-2023028534-A1 INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-03-02 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-20240262806-A1 INHIBITORS OF NLRP3 NLRP3, NOD1, NLRP1 IL1B 10/4885KAT2B 4295/4885NLRP3 1/4885

“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.