SCHEMBL25753684

SCHEMBL25753684

CN(CC(=O)N1CCNCC1)c1cnccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.46
▸ GAA P10253 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TPSAB1 Q15661 1/20 0.37
▸ TPSD1 Q9BZJ3 1/20 0.37
▸ TPSG1 Q9NRR2 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ PRMT3 O60678 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ TSHR P16473 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
SCHEMBL25753474 0.75 OPRD1 (0.45) POLBGAALMNATP53HTT
SCHEMBL18123313 0.73 NAMPT (0.44) POLBTPSAB1TPSD1TPSG1MKNK1
SCHEMBL30874886 0.71 VNN1 (0.43) POLBGAALMNATP53HTT
SCHEMBL26248858 0.70 POLB (0.48) POLBGAALMNATP53HTT
SCHEMBL188200 0.69 CA2 (0.43) GAATPSAB1TPSD1TPSG1KDM4E
Hydrochloric Acid SCHEMBL30171799 0.68 CA2 (0.42) POLBGAATPSAB1TPSD1TPSG1
Hydrochloric Acid SCHEMBL3636826 0.68 CA2 (0.42) POLBGAATPSAB1TPSD1TPSG1
SCHEMBL18476010 0.68 CA2 (0.42) GAATPSAB1TPSD1TPSG1KDM4E
SCHEMBL4820083 0.68 CYP3A4 (0.55) GAAMKNK1MKNK2CYP2D6CYP3A4
SCHEMBL28185115 0.68 P2RX7 (0.38) POLBMKNK1MKNK2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230277508-A1 USE OF COMPOUND AS CYP2E1 INHIBITOR Shanghai Ling Xi Biotechnology Development Co., Ltd. (CN) 2023-09-07 — — US disclosed
EP-4205741-A1 USE OF COMPOUND AS CYP2E1 INHIBITOR Shanghai Ling Xi Biotechnology Development Co., Ltd. (CN) 2023-07-05 — — EP 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-20230277508-A1 USE OF COMPOUND AS CYP2E1 INHIBITOR CYP2E1, CYP11B1, CYP27A1 POLB 1755/4885GAA 656/4885LMNA 3301/4885

“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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