SCHEMBL2733199

SCHEMBL2733199

CC(C)(CN1CCN(c2noc3ccc(F)cc23)CC1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.55
HTR2C P28335 7/20 0.55
HRH1 P35367 2/20 0.52
HTR1A P08908 1/20 0.48
HTR7 P34969 3/20 0.47
DRD2 P14416 2/20 0.47
KCNH2 Q12809 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL2734240 0.89 HTR2C (0.53) HTR2AHTR2CHRH1DRD2LMNA
SCHEMBL2733574 0.85 HTR2C (0.53) HTR2AHTR2CDRD2
SCHEMBL210345 0.84 HTR2A (0.53) HTR2AHRH1HTR1AHTR7DRD2
SCHEMBL2734076 0.83 HTR2C (0.44) HTR2AHTR2CHRH1HTR7DRD2
SCHEMBL2733202 0.82 HTR2C (0.51) HTR2AHTR2CHRH1HTR7DRD2
SCHEMBL85000 0.81 HTR2A (0.61) HTR2AHTR7DRD2KCNH2
SCHEMBL13448219 0.80 HTT (0.61) HTR2AHTR1AHTR7DRD2KCNH2
SCHEMBL1964625 0.77 KIT (0.47) HTR2AHTR1AHTR7DRD2LMNA
SCHEMBL14735719 0.74 HTR2A (0.53) HTR2AHTR1AHTR7DRD2
SCHEMBL3128292 0.74 HTR2A (0.53) HTR2AHTR1AHTR7DRD2

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