SCHEMBL2734077

SCHEMBL2734077

Cc1ccc2onc(N3CCN(CCC(=O)O)CC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
LMNA P02545 3/20 0.48
THRB P10828 1/20 0.48
DRD2 P14416 5/20 0.48
DRD4 P21917 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
HTR2A P28223 4/20 0.47
HTR7 P34969 3/20 0.47
HTR6 P50406 2/20 0.47
HTR2C P28335 1/20 0.45
TP53 P04637 2/20 0.44
HTR1A P08908 1/20 0.44
DRD3 P35462 2/20 0.44

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
SCHEMBL2733203 0.93 DRD2 (0.51) MAPTLMNATHRBDRD2DRD4
SCHEMBL2734416 0.83 DRD2 (0.64) DRD2DRD4SIGMAR1HTR2AHTR7
SCHEMBL22336135 0.83 HTR2A (0.48) MAPTLMNATHRBDRD2DRD4
SCHEMBL2734240 0.83 HTR2C (0.53) MAPTLMNATHRBDRD2HTR2A
SCHEMBL2734417 0.81 HTR2A (0.55) MAPTLMNATHRBDRD2HTR2A
SCHEMBL84999 0.80 HTR2A (0.64) MAPTDRD2HTR2AHTR7HTR1A
SCHEMBL2734080 0.76 DRD2 (0.68) DRD2DRD4SIGMAR1HTR2AHTR7
SCHEMBL13013938 0.76 HTR2A (0.50) DRD2HTR2AHTR7HTR6HTR1A
Hydrochloric Acid SCHEMBL1970630 0.75 HTR2A (0.49) DRD2HTR2AHTR7HTR6HTR1A
Hydrochloric Acid SCHEMBL1970628 0.75 HTR2A (0.49) DRD2HTR2AHTR7HTR6HTR1A

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 MAPT 3204/4885LMNA 1382/4885THRB 2843/4885
US-20090163514-A1 BENZISOXAZOLE PIPERAZINE COMPOUNDS AND METHODS OF USE THEREOF GABRA5, HCRTR2, HCRTR1 MAPT 3204/4885LMNA 1382/4885THRB 2843/4885

“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.