SCHEMBL29501428

SCHEMBL29501428

CC(=O)N1CCC(CNc2nccc(C(=O)O)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 15/20 0.50
▸ CYP11B2 P19099 1/20 0.48
▸ VCP P55072 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ KDM5A P29375 1/20 0.45
▸ JMJD1C Q15652 1/20 0.45
▸ KDM3A Q9Y4C1 1/20 0.45
▸ HRH4 Q9H3N8 1/20 0.44

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
SCHEMBL30443744 0.88 GRIN2B (0.50) GRIN2BCYP11B2HRH4
SCHEMBL2834000 0.82 ASPH (0.55) GRIN2BVCPKDM4EKDM5AJMJD1C
SCHEMBL5914219 0.77 VCP (0.48) GRIN2BCYP11B2VCP
SCHEMBL19476325 0.77 MERTK (0.54) GRIN2BCYP11B2HRH4
SCHEMBL3646509 0.76 CYP11B2 (0.74) GRIN2BCYP11B2VCP
SCHEMBL25387245 0.75 S1PR1 (0.47) GRIN2BCYP11B2KDM4EHRH4
SCHEMBL30443679 0.75 S1PR1 (0.47) GRIN2BCYP11B2KDM4EHRH4
SCHEMBL19477186 0.75 CCNT1 (0.52) GRIN2BCYP11B2
SCHEMBL5477983 0.74 GRIN2B (0.40) GRIN2BCYP11B2VCP
SCHEMBL8292639 0.74 GRIN2B (0.40) GRIN2BCYP11B2VCP

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
US-20240336593-A1 Compound Having Antitumor Activity And Use Thereof INNOVSTONE THERAPEUTICS LIMITED (CN) 2024-10-10 — — US disclosed
EP-4209485-A1 COMPOUND HAVING ANTITUMOR ACTIVITY AND USE THEREOF Innovstone Therapeutics Limited (CN) 2023-07-12 — — EP disclosed
CN-116113626-A Compound with anti-tumor activity and application thereof 上海翊石医药科技有限公司 2023-05-12 — — CN disclosed
WO-2022048631-A1 COMPOUND HAVING ANTITUMOR ACTIVITY AND USE THEREOF 上海翊石医药科技有限公司 2022-03-10 — — 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-20240336593-A1 Compound Having Antitumor Activity And Use Thereof PRMT5, PRMT1, PRMT6 GRIN2B 3716/4885CYP11B2 2976/4885VCP 4170/4885

“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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