SCHEMBL25817498

SCHEMBL25817498

CN(C)CCn1c2c(c3nccnc31)CCCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
HIF1A Q16665 1/20 0.44
HTR6 P50406 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
DRD4 P21917 1/20 0.43
SLC6A2 P23975 1/20 0.43
HRH2 P25021 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
AVPR2 P30518 1/20 0.43
ADRA1A P35348 1/20 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
SCHEMBL24110445 0.80 HTR6 (0.55) CRHBPCRHR2HIF1AHTR6HRH3
SCHEMBL24110447 0.80 HTR6 (0.55) CRHBPCRHR2HIF1AHTR6HRH3
SCHEMBL24109827 0.79 CRHBP (0.33) CRHBPCRHR2HIF1AHTR6HRH3
SCHEMBL24110469 0.79 CRHBP (0.33) CRHBPCRHR2HIF1AHTR6HRH3
SCHEMBL24109836 0.77 HTR1D (0.36) CRHBPCRHR2HIF1AHTR6HTR1A
SCHEMBL24110039 0.77 CRHBP (0.32) CRHBPCRHR2HIF1AHTR6HTR2C
SCHEMBL24110444 0.75 CHRM2 (0.46) CRHBPCRHR2HIF1AHTR6HRH3
SCHEMBL24110446 0.75 CHRM2 (0.46) CRHBPCRHR2HIF1AHTR6HRH3
SCHEMBL24110646 0.69 HTR6 (0.58) CRHBPCRHR2HIF1AHTR6HRH3
SCHEMBL24110461 0.69 HRH1 (0.58) CRHBPCRHR2HIF1AHTR6HRH3

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 2 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

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 CRHBP 247/4885CRHR2 125/4885HIF1A 2630/4885

“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.