SCHEMBL2734076

SCHEMBL2734076

Cc1cc2onc(N3CCN(CC(C)(C)C(=O)O)CC3)c2cc1C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.44
HTR2A P28223 13/20 0.44
HRH1 P35367 9/20 0.42
HTR2B P41595 5/20 0.42
DRD2 P14416 2/20 0.39
DRD1 P21728 1/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL2733202 0.87 HTR2C (0.51) HTR2CHTR2AHRH1HTR2BDRD2
SCHEMBL2733199 0.83 HTR2A (0.55) HTR2CHTR2AHRH1DRD2HTR7
SCHEMBL210345 0.82 HTR2A (0.53) HTR2AHRH1DRD2HTR7
SCHEMBL84998 0.80 HTR2A (0.48) HTR2CHTR2ADRD2HTR7
SCHEMBL2734245 0.73 HTR2A (0.43) HTR2ADRD2HTR7
SCHEMBL2734082 0.71 HTR2A (0.57) HTR2ADRD2HTR7
SCHEMBL2734085 0.70 DRD2 (0.53) HTR2ADRD2HTR7
SCHEMBL84565 0.70 HTR2A (0.61) HTR2CHTR2ADRD2HTR7
SCHEMBL14629552 0.68 HTR2A (0.48) HTR2ADRD2HTR7
SCHEMBL2734417 0.68 HTR2A (0.55) HTR2CHTR2AHRH1DRD2HTR7

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 HTR2C 48/4885HTR2A 128/4885HRH1 492/4885
US-20090163514-A1 BENZISOXAZOLE PIPERAZINE COMPOUNDS AND METHODS OF USE THEREOF GABRA5, HCRTR2, HCRTR1 HTR2C 48/4885HTR2A 128/4885HRH1 492/4885

“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.