SCHEMBL23216508

SCHEMBL23216508

COc1ccc(Cl)c(Cl)c1CC1CCN(C(=O)[C@@H]2CCN(C(=O)O)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK14 Q16539 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL23230441 0.87 HPGD (0.45) SMN1; SMN2HPGDMEN1KMT2ALMNA
SCHEMBL29782192 0.87 HPGD (0.45) SMN1; SMN2HPGDMEN1KMT2ALMNA
SCHEMBL29745210 0.87 HPGD (0.45) SMN1; SMN2HPGDMEN1KMT2ALMNA
SCHEMBL23217162 0.81 ALDH1A1 (0.38) SMN1; SMN2HPGDMEN1KMT2ALMNA
SCHEMBL23214820 0.78 SMN1; SMN2 (0.42) SMN1; SMN2HPGDMEN1KMT2ALMNA
SCHEMBL23230438 0.74 PDE7A (0.40) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL23217213 0.74 DRD2 (0.36) MEN1KMT2ALMNAALDH1A1APOBEC3A
SCHEMBL23217430 0.73 S1PR1 (0.38) MEN1KMT2ALMNAALDH1A1APOBEC3A
SCHEMBL28827794 0.72 ALDH1A1 (0.37) SMN1; SMN2HPGDMEN1KMT2ALMNA
Trifluoroacetic Acid SCHEMBL23215979 0.70 HTR4 (0.43) CYP2C9CYP2C19

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.