SCHEMBL30375466

SCHEMBL30375466

CCOCOc1cc(C)cc(C)c1-c1cnc(N[C@@H]2CCCN(C(C)CO)C2)nn1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IL1B P01584 15/20 0.38
NLRP3 Q96P20 7/20 0.36
TNF P01375 2/20 0.33
KCNH2 Q12809 1/20 0.33
EHMT2 Q96KQ7 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
SCHEMBL26092921 0.86 IL1B (0.47) IL1BNLRP3EHMT2
SCHEMBL26092924 0.86 IL1B (0.47) IL1BNLRP3EHMT2
SCHEMBL29043042 0.85 IL1B (0.45) IL1BNLRP3TNFKCNH2
SCHEMBL29043041 0.85 IL1B (0.45) IL1BNLRP3TNFKCNH2
SCHEMBL26434690 0.85 IL1B (0.50) IL1BNLRP3TNFKCNH2
SCHEMBL30375496 0.85 IL1B (0.50) IL1BNLRP3TNFKCNH2
SCHEMBL26090643 0.85 IL1B (0.50) IL1BNLRP3TNFKCNH2
SCHEMBL30375111 0.84 NLRP3 (0.36) IL1BNLRP3KCNH2
SCHEMBL26093552 0.84 NLRP3 (0.36) IL1BNLRP3KCNH2
SCHEMBL26093548 0.84 NLRP3 (0.36) IL1BNLRP3KCNH2

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 IL1B 9/4885NLRP3 2/4885TNF 186/4885

“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.