SCHEMBL23214820

SCHEMBL23214820

COc1ccc(Cl)c(Cl)c1C(O)C1CCN(C(=O)[C@@H]2CCN(C(=O)O)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.37
CCR5 P51681 1/20 0.37

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
SCHEMBL23230962 0.88 PDE4B (0.44) SMN1; SMN2HPGDMEN1KMT2ALMNA
SCHEMBL29745555 0.88 PDE4B (0.44) SMN1; SMN2HPGDMEN1KMT2ALMNA
SCHEMBL29782298 0.88 PDE4B (0.44) SMN1; SMN2HPGDMEN1KMT2ALMNA
SCHEMBL23216837 0.82 MEN1 (0.37) SMN1; SMN2HPGDMEN1KMT2ATSHR
SCHEMBL23216642 0.82 ALDH1A1 (0.38) SMN1; SMN2HPGDMEN1KMT2ALMNA
SCHEMBL23216448 0.82 ALDH1A1 (0.38) SMN1; SMN2HPGDMEN1KMT2ALMNA
SCHEMBL23216947 0.82 ALDH1A1 (0.38) SMN1; SMN2HPGDMEN1KMT2ALMNA
SCHEMBL23216825 0.82 ALDH1A1 (0.38) SMN1; SMN2HPGDMEN1KMT2ALMNA
SCHEMBL23216140 0.82 ALDH1A1 (0.38) SMN1; SMN2HPGDMEN1KMT2ALMNA
SCHEMBL23216443 0.82 ALDH1A1 (0.38) SMN1; SMN2HPGDMEN1KMT2ALMNA

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-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2023-01-26 US disclosed
WO-2021071806-A1 ARYLMETHYLENE HETEROCYCLIC 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-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNH3 SMN1; SMN2 1712/4885HPGD 2590/4885MEN1 1151/4885

“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.