SCHEMBL24110326

SCHEMBL24110326

COc1ccc2ccn(CC(C)(C)N(C)C)c2c1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 5/20 0.34
AOC3 Q16853 3/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
IDO1 P14902 4/20 0.32
CYP19A1 P11511 1/20 0.31
NQO2 P16083 1/20 0.31
TUBB4A P04350 3/20 0.31
TUBB P07437 3/20 0.31
TUBA3C P0DPH7 3/20 0.31
TUBA1B P68363 3/20 0.31
TUBA4A P68366 3/20 0.31
TUBB4B P68371 3/20 0.31
TUBB3 Q13509 3/20 0.31
TUBB2A Q13885 3/20 0.31
TUBB8 Q3ZCM7 3/20 0.31
TUBA3E Q6PEY2 3/20 0.31
TUBA1A Q71U36 3/20 0.31
TUBA1C Q9BQE3 3/20 0.31
TUBB6 Q9BUF5 3/20 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
SCHEMBL24110285 0.86 HTR2A (0.33) HTR2AHTR2CSMN1; SMN2
SCHEMBL24110306 0.86 ACSS2 (0.33) HTR2AHTR2C
SCHEMBL24110300 0.85 HTR2A (0.32) HTR2AHTR2C
SCHEMBL24110303 0.85 NR3C1 (0.32) HTR2AHTR2C
SCHEMBL24109975 0.82 FABP4 (0.39) HTR2AHTR2C
SCHEMBL24110255 0.78 HTR2C (0.35) TDO2AOC3HTR2CIDO1TUBB4A
SCHEMBL24109718 0.78 TNF (0.33) HTR2AHTR2C
SCHEMBL18247494 0.77 TUBB4A (0.44) CYP19A1NQO2TUBB4ATUBBTUBA3C
SCHEMBL24110336 0.77 NR3C1 (0.34) HTR2AHTR2C
SCHEMBL24109707 0.77 KDM4E (0.38) HTR2AHTR2CCYP19A1NQO2

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 TDO2 1244/4885AOC3 1205/4885HTR2A 10/4885

“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.