SCHEMBL31411347

SCHEMBL31411347

CN(C)CCc1nn(C2CCCCO2)c2c(F)cccc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.36
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
HTR6 P50406 1/20 0.34
KAT2B Q92831 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ATR Q13535 3/20 0.33
EGFR P00533 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
HPGD P15428 1/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.31
SLC6A4 P31645 1/20 0.31
NTRK1 P04629 1/20 0.31

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
SCHEMBL31411309 0.91 ESR1 (0.35) ESR1CYP4F2CYP4A11ALDH1A1ATR
SCHEMBL31411460 0.86 ESR1 (0.41) ESR1CYP4F2CYP4A11ALDH1A1ATR
SCHEMBL31411343 0.81 ESR1 (0.38) ESR1CYP4F2CYP4A11ALDH1A1ATR
SCHEMBL19249525 0.79 ESR1 (0.42) ESR1CYP4F2CYP4A11ALDH1A1ATR
SCHEMBL28348643 0.77 ESR1 (0.42) ESR1CYP4F2CYP4A11ALDH1A1ATR
SCHEMBL19204856 0.77 ESR1 (0.42) ESR1CYP4F2CYP4A11ALDH1A1ATR
SCHEMBL31411438 0.77 CYP4F2 (0.34) CYP4F2CYP4A11EGFR
SCHEMBL31411414 0.76 HTR1A (0.38) CYP4F2CYP4A11HTR6ATREGFR
SCHEMBL31411379 0.74 ESR1 (0.40) ESR1CYP4F2CYP4A11ALDH1A1ATR
SCHEMBL19204873 0.72 ESR1 (0.40) ESR1CYP4F2CYP4A11ALDH1A1ATR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4735425-A1 COMPOUNDS Psylo Pty Ltd (AU) 2026-05-06 EP disclosed
US-20250353818-A1 Compounds Psylo Pty Ltd (AU) 2025-11-20 US disclosed
US-12428380-B2 Compounds Psylo Pty Ltd (AU) 2025-09-30 US disclosed
US-20250214943-A1 Compounds Psylo Pty Ltd (AU) 2025-07-03 US disclosed
WO-2025000053-A1 COMPOUNDS Psylo Pty Ltd (AU) 2025-01-02 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 (3 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-20250214943-A1 Compounds NLN, SLC18A2, PYGB ESR1 3008/4885CYP4F2 614/4885CYP4A11 1465/4885
US-12428380-B2 Compounds NLN, SLC18A2, PYGB ESR1 3008/4885CYP4F2 614/4885CYP4A11 1465/4885
US-20250353818-A1 Compounds NLN, SLC18A2, PYGB ESR1 3008/4885CYP4F2 614/4885CYP4A11 1465/4885

“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.