SCHEMBL23217162

SCHEMBL23217162

C=C(Cc1c(OC)ccc(Cl)c1Cl)[C@H]1CCN(C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
PKM P14618 2/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
LMNA P02545 1/20 0.37
S1PR1 P21453 1/20 0.37
POLB P06746 2/20 0.37
ATM Q13315 1/20 0.37
DRD2 P14416 1/20 0.37
NOTUM Q6P988 1/20 0.36
MGLL Q99685 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL23216508 0.81 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL23217430 0.79 S1PR1 (0.38) ALDH1A1PKMKMT2AMEN1LMNA
SCHEMBL23217213 0.75 DRD2 (0.36) ALDH1A1PKMKMT2AMEN1LMNA
SCHEMBL23214820 0.72 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL28827789 0.70 MAPT (0.39) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL29782192 0.69 HPGD (0.45) SMN1; SMN2HPGDKMT2AMEN1LMNA
SCHEMBL29745210 0.69 HPGD (0.45) SMN1; SMN2HPGDKMT2AMEN1LMNA
SCHEMBL23230441 0.69 HPGD (0.45) SMN1; SMN2HPGDKMT2AMEN1LMNA
SCHEMBL28827794 0.69 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2PKMHPGDKMT2A
SCHEMBL28827759 0.67 DRD2 (0.37) ALDH1A1SMN1; SMN2PKMKMT2AMEN1

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-20230049231-A1 ARYL HETEROBICYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-02-16 US disclosed
EP-4041405-A1 ARYL HETEROBICYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. Shaw Research, LLC (US) 2022-08-17 EP disclosed
CN-114828963-A Arylheterobicyclic compounds as Kv1.3 potassium SHAKER channel blockers D·E·萧尔研究有限责任公司 2022-07-29 CN disclosed
WO-2021071832-A1 ARYL HETEROBICYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. SHAW RESEARCH, LLC (US) 2021-04-15 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-20230049231-A1 ARYL HETEROBICYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNB1, KCNJ2, KCNB2 ALDH1A1 3120/4885SMN1; SMN2 3522/4885PKM 1426/4885

“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.