SCHEMBL23215435

SCHEMBL23215435

O=C([C@@H]1CCNC1)N1CCC(C(O)c2c(OC(=O)C(F)(F)F)ccc(Cl)c2Cl)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.36
DDR1 Q08345 1/20 0.35
SFRP1 Q8N474 2/20 0.35
TLR9 Q9NR96 4/20 0.34
TLR8 Q9NR97 4/20 0.34
TLR7 Q9NYK1 4/20 0.34
SLC6A2 P23975 5/20 0.34
SLC6A4 P31645 5/20 0.34
SLC6A3 Q01959 5/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
CCR4 P51679 1/20 0.33
NOTUM Q6P988 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 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
SCHEMBL23215304 1.00 MGLL (0.36) MGLLDDR1SFRP1TLR9TLR8
SCHEMBL23216160 1.00 MGLL (0.36) MGLLDDR1SFRP1TLR9TLR8
Trifluoroacetic Acid SCHEMBL23215307 0.83 CCR4 (0.38) MGLLDDR1SFRP1TLR9TLR8
SCHEMBL23230919 0.81 TLR9 (0.37) DDR1SFRP1TLR9TLR8TLR7
SCHEMBL29745489 0.81 TLR9 (0.37) DDR1SFRP1TLR9TLR8TLR7
SCHEMBL29745455 0.81 TLR9 (0.37) DDR1SFRP1TLR9TLR8TLR7
SCHEMBL23230965 0.81 TLR9 (0.37) DDR1SFRP1TLR9TLR8TLR7
SCHEMBL23230918 0.81 TLR9 (0.37) DDR1SFRP1TLR9TLR8TLR7
SCHEMBL29745599 0.81 TLR9 (0.37) DDR1SFRP1TLR9TLR8TLR7
SCHEMBL23215529 0.81 DDR1 (0.37) MGLLDDR1SFRP1SLC6A2SLC6A4

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 MGLL 3399/4885DDR1 2844/4885SFRP1 3904/4885

“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.