SCHEMBL25825462

SCHEMBL25825462

CN(C)C1C[C@@H]1n1ccc2ccc(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.39
HTR2C P28335 2/20 0.38
HTR2A P28223 1/20 0.38
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR1F P30939 1/20 0.37
HTR7 P34969 1/20 0.36
CDC7 O00311 1/20 0.33
CDK2 P24941 1/20 0.33
ROCK1 Q13464 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL24109719 1.00 SCD (0.39) SCDHTR2CHTR2AHTR1AHTR1D
SCHEMBL24109704 0.88 HTR2A (0.38) SCDHTR2CHTR2AHTR7SCN9A
SCHEMBL24110275 0.87 SCD (0.41) SCDHTR2CHTR2AHTR1AHTR1D
SCHEMBL24110263 0.84 HTR2A (0.43) HTR2CHTR2ASCN9A
SCHEMBL25820515 0.84 HTR2A (0.43) HTR2CHTR2ASCN9A
SCHEMBL24109741 0.84 HTR2A (0.37) SCDHTR2CHTR2AHTR7
SCHEMBL24110198 0.80 SCN9A (0.37) HTR2CHTR2ASCN9A
SCHEMBL24110294 0.80 SCN9A (0.35) HTR2CHTR2ASCN9A
SCHEMBL24109720 0.80 HTR2A (0.47) SCDHTR2CHTR2AHTR7ROCK1
SCHEMBL25825463 0.80 HTR2A (0.47) SCDHTR2CHTR2AHTR7ROCK1

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 SCD 1360/4885HTR2C 35/4885HTR2A 10/4885

“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.