SCHEMBL25823678

SCHEMBL25823678

COc1ccc2c(ccn2[C@H]2CC[C@@H]2N(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.41
TFPI2 P48307 1/20 0.40
TUBB1 Q9H4B7 1/20 0.39
POLB P06746 3/20 0.39
HTR6 P50406 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR2A P28223 2/20 0.37
ROCK1 Q13464 1/20 0.37
SLC6A2 P23975 2/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
FABP4 P15090 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PRMT5 O14744 1/20 0.34
FDFT1 P37268 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
SCHEMBL25818469 1.00 HTR2C (0.41) HTR2CTFPI2TUBB1POLBHTR6
SCHEMBL24110041 1.00 HTR2C (0.41) HTR2CTFPI2TUBB1POLBHTR6
SCHEMBL25823670 1.00 HTR2C (0.41) HTR2CTFPI2TUBB1POLBHTR6
SCHEMBL25823672 1.00 HTR2C (0.41) HTR2CTFPI2TUBB1POLBHTR6
SCHEMBL24109866 1.00 HTR2C (0.41) HTR2CTFPI2TUBB1POLBHTR6
SCHEMBL24109857 1.00 HTR2C (0.41) HTR2CTFPI2TUBB1POLBHTR6
SCHEMBL24110299 0.89 HTR2A (0.46) HTR2CTFPI2HTR6HTR2AROCK1
SCHEMBL24109711 0.88 HTR2C (0.42) HTR2CTFPI2TUBB1POLBHTR6
SCHEMBL25820772 0.88 HTR2C (0.42) HTR2CTFPI2TUBB1POLBHTR6
SCHEMBL24109870 0.86 TFPI2 (0.43) HTR2CTFPI2POLBHTR2AMEN1

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 HTR2C 35/4885TFPI2 3990/4885TUBB1 216/4885

“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.