SCHEMBL24109727

SCHEMBL24109727

COc1cc2ccn(C3CCC3N(C)C)c2cc1OC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TFPI2 P48307 1/20 0.39
SCN9A Q15858 1/20 0.35
SIGMAR1 Q99720 1/20 0.33
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
MAOA P21397 1/20 0.31
SLC6A3 Q01959 2/20 0.30
EED O75530 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL24109716 0.91 SCN9A (0.34) TFPI2SCN9A
SCHEMBL24109732 0.91 SCN9A (0.34) TFPI2SCN9A
SCHEMBL24110307 0.90 SCN9A (0.38) TFPI2SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL24110636 0.90 SCN9A (0.40) TFPI2SCN9ASLC6A2SLC6A4SLC6A3
SCHEMBL25825528 0.87 TFPI2 (0.37) TFPI2SCN9ASIGMAR1SLC6A2SLC6A4
SCHEMBL24110199 0.87 TFPI2 (0.37) TFPI2SCN9ASIGMAR1SLC6A2SLC6A4
SCHEMBL24110299 0.82 HTR2A (0.46) TFPI2SLC6A2SLC6A4SLC6A3
SCHEMBL24110041 0.82 HTR2C (0.41) TFPI2SLC6A2SLC6A4SLC6A3
SCHEMBL24109857 0.82 HTR2C (0.41) TFPI2SLC6A2SLC6A4SLC6A3
SCHEMBL24109866 0.82 HTR2C (0.41) TFPI2SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2023-07-13 US disclosed
US-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2023-07-13 US disclosed
WO-2021252692-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2021-12-16 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-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF GAP43, SLC18A2, PNMT TFPI2 3990/4885SCN9A 3315/4885SIGMAR1 173/4885

“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.