SCHEMBL2734696

SCHEMBL2734696

CC(C)(CN1CCN(c2noc3ccccc23)CC1)C(=O)NS(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.49
HTR2A P28223 11/20 0.49
HTR7 P34969 11/20 0.49
HTR6 P50406 9/20 0.49
DRD4 P21917 3/20 0.47
SIGMAR1 Q99720 2/20 0.47

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
SCHEMBL14629552 0.84 HTR2A (0.48) DRD2HTR2AHTR7HTR6DRD4
SCHEMBL210345 0.84 HTR2A (0.53) DRD2HTR2AHTR7HTR6DRD4
SCHEMBL2734085 0.83 DRD2 (0.53) DRD2HTR2AHTR7HTR6DRD4
SCHEMBL85559 0.82 HTR2A (0.51) DRD2HTR2AHTR7
SCHEMBL2734694 0.79 HTR2A (0.51) DRD2HTR2AHTR7DRD4SIGMAR1
SCHEMBL13453339 0.76 HTR2A (0.49) DRD2HTR2AHTR7HTR6DRD4
SCHEMBL2734082 0.75 HTR2A (0.57) DRD2HTR2AHTR7DRD4SIGMAR1
SCHEMBL10194104 0.72 HTR2C (0.55) DRD2HTR2A
SCHEMBL2734240 0.71 HTR2C (0.53) DRD2HTR2A
SCHEMBL2733202 0.71 HTR2C (0.51) DRD2HTR2AHTR7HTR6

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088778-B2 Benzisoxazole piperazine compounds and methods of use thereof HYPNION, INC. (US) 2012-01-03 US disclosed
US-8088778-B2 Benzisoxazole piperazine compounds and methods of use thereof HYPNION, INC. (US) 2012-01-03 US disclosed
EP-1877390-B1 BENZISOXAZOLE PIPERAZINE COMPOUNDS AND METHODS OF USE THEREOF HYPNION INC (US) 2010-03-24 EP disclosed
US-20090163514-A1 BENZISOXAZOLE PIPERAZINE COMPOUNDS AND METHODS OF USE THEREOF COUGHLIN DANIEL 2009-06-25 US disclosed
US-20090163514-A1 BENZISOXAZOLE PIPERAZINE COMPOUNDS AND METHODS OF USE THEREOF COUGHLIN DANIEL 2009-06-25 US disclosed
US-7494998-B2 Benzisoxazole piperazine compounds and methods of use thereof HYPNION, INC. (US) 2009-02-24 US disclosed
US-7494998-B2 Benzisoxazole piperazine compounds and methods of use thereof HYPNION, INC. (US) 2009-02-24 US disclosed
US-20070004752-A1 Benzisoxazole piperazine compounds and methods of use thereof HYPNION, INC. 2007-01-04 US disclosed
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 (2 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 DRD2 1869/4885HTR2A 128/4885HTR7 60/4885
US-20090163514-A1 BENZISOXAZOLE PIPERAZINE COMPOUNDS AND METHODS OF USE THEREOF GABRA5, HCRTR2, HCRTR1 DRD2 1869/4885HTR2A 128/4885HTR7 60/4885

“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.