SCHEMBL2734417

SCHEMBL2734417

Cc1ccc2onc(N3CCN(CC4(C(=O)O)CC4)CC3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.55
HRH1 P35367 4/20 0.50
LMNA P02545 4/20 0.46
THRB P10828 3/20 0.46
MAPT P10636 3/20 0.44
TP53 P04637 5/20 0.42
DRD2 P14416 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL2734418 0.84 DRD2 (0.53) HTR2AHRH1DRD2HTR7
SCHEMBL2734077 0.81 MAPT (0.50) HTR2ALMNATHRBMAPTTP53
SCHEMBL85053 0.81 HTR2A (0.56) HTR2AHRH1MAPTDRD2HTR7
SCHEMBL2734240 0.80 HTR2C (0.53) HTR2AHRH1LMNATHRBMAPT
SCHEMBL2733203 0.79 DRD2 (0.51) HTR2ALMNATHRBMAPTDRD2
SCHEMBL2965069 0.76 HRH1 (0.41) HTR2AHRH1DRD2HTR7HTR6
SCHEMBL22336135 0.76 HTR2A (0.48) HTR2ALMNATHRBMAPTTP53
SCHEMBL2734699 0.73 DRD2 (0.56) HTR2ADRD2HTR7
SCHEMBL2733202 0.71 HTR2C (0.51) HTR2AHRH1DRD2HTR7HTR6
SCHEMBL23242493 0.71 HTR2A (1.00) HTR2AHRH1DRD2HTR2C

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 128/4885HRH1 492/4885LMNA 1382/4885
US-20090163514-A1 BENZISOXAZOLE PIPERAZINE COMPOUNDS AND METHODS OF USE THEREOF GABRA5, HCRTR2, HCRTR1 HTR2A 128/4885HRH1 492/4885LMNA 1382/4885

“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.