SCHEMBL24110652

SCHEMBL24110652

CN(C)CCn1c2c(c3nccnc31)OCCO2

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
HTR6 P50406 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
HSP90AA1 P07900 1/20 0.30
TOP2A P11388 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
SCHEMBL24110600 0.95 KDM4E (0.31) KDM4EHTR6ALDH1A1HPGDALOX15
SCHEMBL24109814 0.89 HSP90AA1 (0.34) KDM4EHTR6SMN1; SMN2PDE4APDE4B
SCHEMBL24109824 0.82 HTR6 (0.41) KDM4EHTR6ALDH1A1HPGDALOX15
SCHEMBL24109836 0.80 HTR1D (0.36) KDM4EHTR6ALDH1A1HPGDALOX15
SCHEMBL24109826 0.80 HTR6 (0.46) KDM4EHTR6SMN1; SMN2TOP2A
SCHEMBL24110039 0.80 CRHBP (0.32) KDM4EHTR6ALDH1A1HPGDALOX15
SCHEMBL24110469 0.79 CRHBP (0.33) HTR6
SCHEMBL24109827 0.79 CRHBP (0.33) HTR6ALDH1A1
SCHEMBL24110453 0.77 HTR6 (0.40) KDM4EHTR6ALDH1A1HPGDALOX15
SCHEMBL24109868 0.76 TOP2A (0.32) TOP2A

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 KDM4E 2739/4885HTR6 42/4885ALDH1A1 1852/4885

“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.