SCHEMBL25823821

SCHEMBL25823821

COc1ccc2c(c1)CC(CCN(C)C)C2

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.54
DRD2 P14416 4/20 0.48
DRD3 P35462 4/20 0.48
DRD4 P21917 2/20 0.48
CYP26A1 O43174 1/20 0.46
METAP1 P53582 3/20 0.46
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
ACHE P22303 2/20 0.43

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
Hydrochloric Acid SCHEMBL4623080 0.87 CYP19A1 (0.56) CYP19A1DRD2DRD3DRD4CYP26A1
Hydrochloric Acid SCHEMBL7348609 0.85 CYP19A1 (0.54) CYP19A1DRD2DRD3DRD4CYP26A1
SCHEMBL29421235 0.82 CYP19A1 (0.57) CYP19A1DRD2DRD3DRD4CYP26A1
SCHEMBL28715505 0.82 CYP19A1 (0.57) CYP19A1DRD2DRD3DRD4CYP26A1
Hydrochloric Acid SCHEMBL4624090 0.79 CYP19A1 (0.54) CYP19A1DRD2DRD3DRD4CYP26A1
SCHEMBL25818510 0.79 METAP1 (0.41) METAP1ACHE
Hydrochloric Acid SCHEMBL4623129 0.78 CYP19A1 (0.53) CYP19A1DRD2DRD3DRD4CYP26A1
SCHEMBL8688900 0.78 CYP19A1 (0.60) CYP19A1DRD2DRD3DRD4CYP26A1
SCHEMBL10225792 0.78 CYP19A1 (0.54) CYP19A1DRD2DRD3DRD4CYP26A1
SCHEMBL10225796 0.78 CYP19A1 (0.57) CYP19A1DRD2DRD3DRD4CYP26A1

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 CYP19A1 912/4885DRD2 57/4885DRD3 98/4885

“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.