SCHEMBL23215529

SCHEMBL23215529

O=C([C@@H]1CCNC1)N1CCC(Cc2c(OC(=O)C(F)(F)F)ccc(Cl)c2Cl)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 1/20 0.37
MGLL Q99685 3/20 0.36
EPHX2 P34913 1/20 0.35
SFRP1 Q8N474 2/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
CCR4 P51679 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
HPGD P15428 1/20 0.34
CYP3A5 P20815 1/20 0.33
NOTUM Q6P988 1/20 0.33
SSTR1 P30872 1/20 0.33
SSTR4 P31391 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KCNH2 Q12809 1/20 0.32

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
SCHEMBL23216085 0.84 CCR4 (0.36) DDR1MGLLEPHX2SFRP1MEN1
Trifluoroacetic Acid SCHEMBL23215528 0.83 CCR4 (0.40) DDR1MGLLSFRP1MEN1KMT2A
SCHEMBL23230442 0.81 SPR (0.38) DDR1MEN1KMT2ACCR4SLC6A2
SCHEMBL29745525 0.81 SPR (0.38) DDR1MEN1KMT2ACCR4SLC6A2
SCHEMBL23215304 0.81 MGLL (0.36) DDR1MGLLSFRP1MEN1LMNA
SCHEMBL23215435 0.81 MGLL (0.36) DDR1MGLLSFRP1MEN1LMNA
SCHEMBL23216160 0.81 MGLL (0.36) DDR1MGLLSFRP1MEN1LMNA
SCHEMBL23215237 0.73 CCR4 (0.35) DDR1MGLLSFRP1MEN1LMNA
SCHEMBL23216325 0.73 CCR4 (0.35) DDR1MGLLSFRP1MEN1LMNA
Trifluoroacetic Acid SCHEMBL23216083 0.72 CCR4 (0.43) DDR1SFRP1CCR4SLC6A2SLC6A4

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 DDR1 2844/4885MGLL 3399/4885EPHX2 4505/4885

“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.