SCHEMBL25825463

SCHEMBL25825463

COc1ccc2ccn([C@H]3CC3N(C)C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MTNR1A P48039 5/20 0.39
MTNR1B P49286 5/20 0.39
SCD O00767 1/20 0.39
HTR7 P34969 1/20 0.38
TFPI2 P48307 1/20 0.38
HTR6 P50406 1/20 0.38
ROCK1 Q13464 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
FABP4 P15090 2/20 0.36
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MAOB P27338 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
SCHEMBL24109720 1.00 HTR2A (0.47) HTR2AHTR2CMEN1KMT2AMTNR1A
SCHEMBL24109711 0.89 HTR2C (0.42) HTR2AHTR2CMEN1KMT2AMTNR1A
SCHEMBL25820772 0.89 HTR2C (0.42) HTR2AHTR2CMEN1KMT2AMTNR1A
SCHEMBL24110299 0.88 HTR2A (0.46) HTR2AHTR2CMEN1KMT2AMTNR1A
SCHEMBL24110199 0.82 TFPI2 (0.37) TFPI2SLC6A2SLC6A4
SCHEMBL25825528 0.82 TFPI2 (0.37) TFPI2SLC6A2SLC6A4
SCHEMBL24109741 0.81 HTR2A (0.37) HTR2AHTR2CSCDHTR7FABP4
SCHEMBL24109861 0.81 HTR2A (0.47) HTR2AHTR2CMEN1KMT2AMTNR1A
SCHEMBL24109719 0.80 SCD (0.39) HTR2AHTR2CSCDHTR7ROCK1
SCHEMBL25825462 0.80 SCD (0.39) HTR2AHTR2CSCDHTR7ROCK1

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 35/4885MEN1 3118/4885

“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.