SCHEMBL25825529

SCHEMBL25825529

COc1cc2ccn([C@H]3CC3N(C)C)c2cc1C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SCN9A Q15858 1/20 0.31
TFPI2 P48307 1/20 0.31
EED O75530 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
SCHEMBL24110195 1.00 SLC6A2 (0.32) SLC6A2SLC6A4SCN9ATFPI2EED
SCHEMBL24110204 0.95 SLC6A2 (0.32) SLC6A2SLC6A4SCN9ATFPI2EED
SCHEMBL25825528 0.91 TFPI2 (0.37) SLC6A2SLC6A4SCN9ATFPI2
SCHEMBL24110199 0.91 TFPI2 (0.37) SLC6A2SLC6A4SCN9ATFPI2
SCHEMBL24109716 0.88 SCN9A (0.34) SCN9ATFPI2
SCHEMBL25820588 0.86 SCN9A (0.32) SCN9A
SCHEMBL24110197 0.86 SCN9A (0.32) SCN9A
SCHEMBL25825525 0.86 DRD5 (0.39) SLC6A2SLC6A4SCN9ATFPI2EED
SCHEMBL24110284 0.86 DRD5 (0.39) SLC6A2SLC6A4SCN9ATFPI2EED
SCHEMBL24109732 0.83 SCN9A (0.34) SCN9ATFPI2

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 1 patent. 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

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 SLC6A2 118/4885SLC6A4 99/4885SCN9A 3315/4885

“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.