SCHEMBL30375345

SCHEMBL30375345

Oc1cc(C(F)(F)F)cnc1-c1nnc(N[C@@H]2CCCC[C@H]2O)c2c1CCC2

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.56
KCNH2 Q12809 1/20 0.56
IL1B P01584 8/20 0.43
TNF P01375 1/20 0.43
HCRTR1 O43613 5/20 0.34
TRPV3 Q8NET8 2/20 0.32

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
SCHEMBL26438480 1.00 NLRP3 (0.56) NLRP3KCNH2IL1BTNFHCRTR1
SCHEMBL26436782 1.00 NLRP3 (0.56) NLRP3KCNH2IL1BTNFHCRTR1
SCHEMBL26437007 0.91 NLRP3 (0.55) NLRP3KCNH2IL1BTNFHCRTR1
SCHEMBL26438486 0.91 NLRP3 (0.55) NLRP3KCNH2IL1BTNFHCRTR1
SCHEMBL26436983 0.85 NLRP3 (0.52) NLRP3KCNH2IL1BTNFHCRTR1
SCHEMBL31072355 0.85 NLRP3 (0.52) NLRP3KCNH2IL1BTNFHCRTR1
SCHEMBL26438485 0.85 NLRP3 (0.52) NLRP3KCNH2IL1BTNFHCRTR1
SCHEMBL26436986 0.85 NLRP3 (0.52) NLRP3KCNH2IL1BTNFHCRTR1
SCHEMBL26437564 0.85 NLRP3 (0.72) NLRP3KCNH2IL1BTNFHCRTR1
SCHEMBL26438471 0.84 NLRP3 (0.74) NLRP3KCNH2IL1BTNFTRPV3

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-20250002470-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ZHEJIANG AIXPLORER BIOTECH CO., LTD. (CN) 2025-01-02 US disclosed
EP-4421068-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Zhejiang Aixplorer Biotech Co., Ltd. (CN) 2024-08-28 EP disclosed
CN-116102535-A Nitrogen-containing compound, preparation method and application thereof 索智生物科技(浙江)有限公司 2023-05-12 CN 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-20250002470-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF NOD1, NLRP3, NLRP1 NLRP3 2/4885KCNH2 2350/4885IL1B 9/4885

“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.