SCHEMBL24110221

SCHEMBL24110221

CNC(C)(C)Cn1cc(C)c2cc(F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.46
PER2 O15055 3/20 0.37
CRY1 Q16526 1/20 0.37
CRY2 Q49AN0 1/20 0.37
HTR3A P46098 2/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ICMT O60725 3/20 0.34
HTR6 P50406 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL25818084 0.85 AR (0.34) ARLMNAMAPT
SCHEMBL24110219 0.82 AR (0.47) ARPER2CRY1CRY2HTR3A
SCHEMBL30404688 0.82 AR (0.47) ARPER2CRY1CRY2HTR3A
SCHEMBL24109882 0.80 AR (0.44) ARPER2CRY1CRY2HTR3A
SCHEMBL25303265 0.78 RXFP1 (0.46) ARPTGDR2RXFP1LMNAMAPT
SCHEMBL30404969 0.78 RXFP1 (0.46) ARPTGDR2RXFP1LMNAMAPT
SCHEMBL24824798 0.77 CYP19A1 (0.44) ARICMTHTR6MAPT
Fumaric Acid SCHEMBL27524957 0.73 AR (0.48) ARHTR3APTGDR2ICMTHTR6
SCHEMBL25500049 0.73 ICMT (0.43) ARPTGDR2ICMTHTR6MAPT
SCHEMBL25818087 0.72 NR3C1 (0.35) ARNR3C1PGRNR3C2

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 3 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
WO-2021252692-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2021-12-16 WO 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 AR 2350/4885PER2 1443/4885CRY1 2705/4885

“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.