SCHEMBL31411287

SCHEMBL31411287

COc1cc2c(CCN3CCCC3)nn(C3CCCCO3)c2cc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.35
ACHE P22303 2/20 0.33
HTR2C P28335 1/20 0.33
HTR2A P28223 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
KIT P10721 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
HTR1A P08908 3/20 0.32
SLC6A4 P31645 1/20 0.32
ALDH1A1 P00352 2/20 0.31
DRD2 P14416 1/20 0.31
AVPR1B P47901 1/20 0.31
KMT2A Q03164 1/20 0.31
AXL P30530 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
SCHEMBL31651558 0.98 ATR (0.35) ATRACHEHTR2CHTR2AKIT
SCHEMBL31411440 0.91 ATR (0.32) ATRCYP4F2CYP4A11AVPR1BAXL
SCHEMBL31411429 0.90 ATR (0.32) ATRCYP4F2CYP4A11
SCHEMBL31411467 0.88 HRH3 (0.34) ATRHRH3CYP4F2CYP4A11AVPR1B
SCHEMBL31411268 0.87 CYP4F2 (0.35) ATRCYP4F2CYP4A11ALDH1A1
SCHEMBL31411421 0.86 ATR (0.32) ATRHTR1ADRD2
SCHEMBL31411414 0.85 HTR1A (0.38) ATRCYP4F2CYP4A11HTR1AAXL
SCHEMBL31411321 0.83 ATR (0.36) ATRCYP4F2CYP4A11ALDH1A1
SCHEMBL31411310 0.83 LMNA (0.35) ATRACHECYP4F2CYP4A11HTR1A
SCHEMBL31411345 0.79 ATR (0.36) ATRCYP4F2CYP4A11ALDH1A1

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 ATR 2191/4885ACHE 11/4885HTR2C 23/4885
US-12428380-B2 Compounds NLN, SLC18A2, PYGB ATR 2191/4885ACHE 11/4885HTR2C 23/4885
US-20250353818-A1 Compounds NLN, SLC18A2, PYGB ATR 2191/4885ACHE 11/4885HTR2C 23/4885

“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.