SCHEMBL14629552

SCHEMBL14629552

CC(C)(CN1CCN(c2noc3ccccc23)CC1)C(=O)N[SH](=O)=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.48
HTR7 P34969 4/20 0.48
DRD2 P14416 8/20 0.48
DRD4 P21917 3/20 0.48
SIGMAR1 Q99720 2/20 0.48
HTR6 P50406 2/20 0.46
HTR1A P08908 4/20 0.43

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
SCHEMBL210345 0.85 HTR2A (0.53) HTR2AHTR7DRD2DRD4SIGMAR1
SCHEMBL2734696 0.84 DRD2 (0.49) HTR2AHTR7DRD2DRD4SIGMAR1
SCHEMBL2734085 0.84 DRD2 (0.53) HTR2AHTR7DRD2DRD4SIGMAR1
SCHEMBL2734694 0.79 HTR2A (0.51) HTR2AHTR7DRD2DRD4SIGMAR1
SCHEMBL13453339 0.77 HTR2A (0.49) HTR2AHTR7DRD2DRD4SIGMAR1
SCHEMBL2734082 0.76 HTR2A (0.57) HTR2AHTR7DRD2DRD4SIGMAR1
SCHEMBL2734240 0.72 HTR2C (0.53) HTR2ADRD2
SCHEMBL2733202 0.72 HTR2C (0.51) HTR2AHTR7DRD2HTR6
SCHEMBL2734416 0.72 DRD2 (0.64) HTR2AHTR7DRD2DRD4SIGMAR1
SCHEMBL2733199 0.70 HTR2A (0.55) HTR2AHTR7DRD2HTR1A

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-20070004752-A1 Benzisoxazole piperazine compounds and methods of use thereof HYPNION, INC. 2007-01-04 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-20070004752-A1 Benzisoxazole piperazine compounds and methods of use thereof GABRA5, HCRTR2, HCRTR1 HTR2A 128/4885HTR7 60/4885DRD2 1869/4885

“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.