SCHEMBL25818911

SCHEMBL25818911

CN(C)CCn1c2c(c3ccccc31)CCCCC2

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.85
CHRM2 P08172 1/20 0.85
HTR1A P08908 1/20 0.85
CHRM5 P08912 1/20 0.85
ADRA2A P08913 1/20 0.85
DRD2 P14416 1/20 0.85
ADRA2B P18089 1/20 0.85
ADRA2C P18825 1/20 0.85
CHRM3 P20309 1/20 0.85
DRD4 P21917 1/20 0.85
SLC6A2 P23975 1/20 0.85
HRH2 P25021 1/20 0.85
HTR2A P28223 1/20 0.85
HTR2C P28335 1/20 0.85
AVPR2 P30518 1/20 0.85
ADRA1A P35348 1/20 0.85
HRH1 P35367 1/20 0.85
DRD3 P35462 1/20 0.85
OPRK1 P41145 1/20 0.85
HTR2B P41595 1/20 0.85

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
SCHEMBL11891460 0.92 HTR6 (1.00) HTR6CHRM2HTR1ACHRM5ADRA2A
Iprindole SCHEMBL49509 0.92 HTR6 (1.00) HTR6CHRM2HTR1ACHRM5ADRA2A
Iprindole SCHEMBL29407410 0.92 HTR6 (1.00) HTR6CHRM2HTR1ACHRM5ADRA2A
Iprindole SCHEMBL5705755 0.91 HTR6 (0.97) HTR6CHRM2HTR1ACHRM5ADRA2A
SCHEMBL11533022 0.85 HTR6 (0.64) HTR6CHRM2HTR1ACHRM5ADRA2A
SCHEMBL11530224 0.83 CHRM2 (0.61) HTR6CHRM2HTR1ACHRM5ADRA2A
SCHEMBL18457140 0.82 CA1 (0.67) HTR6CHRM2HTR1ACHRM5ADRA2A
SCHEMBL24110461 0.81 HRH1 (0.58) HTR6CHRM2HTR1ACHRM5ADRA2A
SCHEMBL24110646 0.81 HTR6 (0.58) HTR6CHRM2HTR1ACHRM5ADRA2A
SCHEMBL14157802 0.80 CA1 (0.71) HTR6CHRM2HTR1ACHRM5ADRA2A

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 HTR6 42/4885CHRM2 514/4885HTR1A 12/4885

“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.