SCHEMBL25825444

SCHEMBL25825444

CN(C)C1C[C@@H]1n1ccc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
SLC6A4 P31645 1/20 0.42
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
SLC6A2 P23975 4/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
MAOB P27338 1/20 0.38
CDK4 P11802 3/20 0.35
CCND1 P24385 3/20 0.35
NOTUM Q6P988 1/20 0.35
HTR6 P50406 4/20 0.33
SCD O00767 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL24110406 1.00 DRD2 (0.42) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL24110501 0.85 DRD2 (0.44) DRD2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL25820381 0.80 HTR2A (0.37) HTR2AHTR2CMAOBCDK4CCND1
SCHEMBL24109740 0.80 HTR2A (0.37) HTR2AHTR2CMAOBCDK4CCND1
SCHEMBL24109741 0.80 HTR2A (0.37) HTR2AHTR2CSCD
SCHEMBL25825462 0.78 SCD (0.39) HTR2AHTR2CSCD
SCHEMBL24109719 0.78 SCD (0.39) HTR2AHTR2CSCD
SCHEMBL24110605 0.78 MAPT (0.40) SLC6A2
SCHEMBL24110591 0.78 CDC7 (0.35) SLC6A2
SCHEMBL24109704 0.78 HTR2A (0.38) SLC6A4SLC6A2HTR2AHTR2CMAOB

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 DRD2 57/4885SLC6A4 99/4885OPRM1 218/4885

“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.