SCHEMBL25818087

SCHEMBL25818087

CNC(C)(C)Cn1ccc2c(F)c(C)ccc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.35
PGR P06401 4/20 0.35
NR3C2 P08235 4/20 0.35
AR P10275 2/20 0.33
HTR2A P28223 4/20 0.31
HTR2C P28335 4/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL24110227 0.87 HTR2A (0.38) NR3C1PGRNR3C2ARHTR2A
SCHEMBL25818077 0.82 HTR2A (0.35) NR3C1PGRNR3C2ARHTR2A
SCHEMBL24110252 0.79 NR3C1 (0.33) NR3C1PGRNR3C2ARHTR2A
SCHEMBL24110221 0.72 AR (0.46) NR3C1PGRNR3C2AR
SCHEMBL25818084 0.69 AR (0.34) ARKDM4EHSD17B10
SCHEMBL24110215 0.68 HTR2A (0.42) ARHTR2AHTR2CKDM4EHSD17B10
SCHEMBL25259286 0.67 TDP1 (0.41) KDM4E
SCHEMBL24110205 0.67 HTR2A (0.32) HTR2AHTR2C
SCHEMBL18876105 0.67 RHEB (0.42) KDM4E
SCHEMBL31705935 0.67 RHEB (0.42) KDM4E

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 NR3C1 1240/4885PGR 1797/4885NR3C2 1521/4885

“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.