SCHEMBL25817505

SCHEMBL25817505

CN(C)CCn1c2c(c3ncncc31)CCCCO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.35
HTR1D P28221 1/20 0.35
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
HIF1A Q16665 1/20 0.32
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2A P08913 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD4 P21917 1/20 0.31
SLC6A2 P23975 1/20 0.31
HRH2 P25021 1/20 0.31
HTR2A P28223 1/20 0.31
AVPR2 P30518 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 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
SCHEMBL24110026 0.96 HTR1D (0.38) HTR2CHTR1DCRHBPCRHR2HIF1A
SCHEMBL25817520 0.84 HTR1D (0.31) HTR2CHTR1D
SCHEMBL24110465 0.82 HTR2C (0.34) HTR2CHTR1DCRHBPCRHR2HIF1A
SCHEMBL24109868 0.82 TOP2A (0.32)
SCHEMBL24109822 0.81 HTR2C (0.33) HTR2CHTR1DCRHBPCRHR2HIF1A
SCHEMBL25817510 0.81 HTR6 (0.38) HTR2CHTR1DCRHBPCRHR2HIF1A
SCHEMBL24110446 0.81 CHRM2 (0.46) HTR2CCRHBPCRHR2HIF1ACHRM2
SCHEMBL24110449 0.79 HTR2C (0.38) HTR2CHTR1DCRHBPCRHR2HIF1A
SCHEMBL24110650 0.79 HTR2C (0.34) HTR2CHTR1DCRHBPCRHR2HIF1A
SCHEMBL24110028 0.78 HTR1D (0.36) HTR2CHTR1DCRHBPCRHR2HIF1A

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 HTR2C 35/4885HTR1D 47/4885CRHBP 247/4885

“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.