SCHEMBL25753474

SCHEMBL25753474

CN(CC(=O)N1CCN(Cc2cscn2)CC1)c1cnccn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 12/20 0.45
▸ KCNH2 Q12809 5/20 0.45
▸ OPRM1 P35372 8/20 0.41
▸ POLB P06746 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SRPK1 Q96SB4 1/20 0.35
▸ GRM5 P41594 1/20 0.34

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
SCHEMBL25753684 0.75 POLB (0.46) POLBLMNATP53GAAHTT
SCHEMBL210366 0.71 OPRD1 (0.42) OPRD1KCNH2OPRM1KDM4EALDH1A1
SCHEMBL2733434 0.67 CHRM2 (0.44) OPRD1KCNH2OPRM1POLBKDM4E
SCHEMBL14338849 0.66 KCNH2 (0.49) OPRD1KCNH2OPRM1LMNAKDM4E
SCHEMBL26248858 0.65 POLB (0.48) POLBLMNATP53GAAHTT
SCHEMBL31546371 0.64 LTA4H (0.50) OPRD1KCNH2OPRM1
SCHEMBL30874886 0.63 VNN1 (0.43) POLBLMNATP53GAAHTT
SCHEMBL28289061 0.62 OPRD1 (0.40) OPRD1KCNH2OPRM1SRPK1
SCHEMBL27645924 0.62 LTA4H (0.49) OPRD1KCNH2OPRM1POLBALDH1A1
SCHEMBL2662022 0.61 CHKA (0.47) OPRD1KCNH2OPRM1POLBKDM4E

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-20230277508-A1 USE OF COMPOUND AS CYP2E1 INHIBITOR Shanghai Ling Xi Biotechnology Development Co., Ltd. (CN) 2023-09-07 — — US disclosed
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 OPRD1 2868/4885KCNH2 4089/4885OPRM1 4286/4885

“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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