SCHEMBL25818077

SCHEMBL25818077

Cc1ccc2c(ccn2CC(C)(C)N)c1F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.35
HTR2C P28335 4/20 0.35
NR3C1 P04150 5/20 0.34
PGR P06401 3/20 0.34
NR3C2 P08235 3/20 0.34
AR P10275 2/20 0.34
F2R P25116 1/20 0.32
GRM2 Q14416 1/20 0.31
SLC2A1 P11166 1/20 0.30

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
SCHEMBL24110215 0.86 HTR2A (0.42) HTR2AHTR2CAR
SCHEMBL25818087 0.82 NR3C1 (0.35) HTR2AHTR2CNR3C1PGRNR3C2
SCHEMBL24110252 0.82 NR3C1 (0.33) HTR2AHTR2CNR3C1PGRNR3C2
SCHEMBL27653796 0.71 HTR2C (0.40) HTR2AHTR2CNR3C1PGRNR3C2
SCHEMBL24110219 0.71 AR (0.47) AR
SCHEMBL24110205 0.69 HTR2A (0.32) HTR2AHTR2C
SCHEMBL18876105 0.69 RHEB (0.42)
SCHEMBL31705935 0.69 RHEB (0.42)
SCHEMBL25819171 0.68 HTR2C (0.58) HTR2AHTR2C
SCHEMBL24110240 0.68 HTR2C (0.38) HTR2AHTR2CAR

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 HTR2A 10/4885HTR2C 35/4885NR3C1 1240/4885

“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.