SCHEMBL1038435

SCHEMBL1038435

O=C1NCCc2ccc(OCCCCCl)cc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.57
PARP1 P09874 6/20 0.54
PARP10 Q53GL7 6/20 0.54
F7 P08709 1/20 0.54
F3 P13726 1/20 0.54
PDPK1 O15530 1/20 0.44
PARP11 Q9NR21 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
KCNA5 P22460 1/20 0.43
HTR1A P08908 3/20 0.42
HTR2A P28223 3/20 0.42
MAPKAPK2 P49137 1/20 0.42
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 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
SCHEMBL1037269 0.96 DRD2 (0.56) DRD2PARP1PARP10F7F3
SCHEMBL3397008 0.88 DRD2 (0.53) DRD2PARP1PARP10F7F3
SCHEMBL247155 0.86 PARP10 (0.54) DRD2PARP1PARP10F7F3
SCHEMBL4727033 0.86 DRD2 (0.53) DRD2HTR1AHTR2ASLC6A4KCNH2
SCHEMBL1036450 0.84 KCNA5 (0.53) DRD2PARP1PARP10F7F3
SCHEMBL4728027 0.81 DRD2 (0.52) DRD2HTR1AHTR2ASLC6A4KCNH2
SCHEMBL5106942 0.81 HRH3 (0.70) DRD2HRH3
SCHEMBL30199237 0.81 MAOB (0.60) DRD2PARP1PARP10F7F3
SCHEMBL29098025 0.81 MAOB (0.60) DRD2PARP1PARP10F7F3
SCHEMBL5101073 0.80 HRH3 (0.72) DRD2HRH3

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210113556-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-22 US disclosed
US-20200237755-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-07-30 US disclosed
US-RE48059-E1 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-06-23 US disclosed
US-20190321359-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-24 US disclosed
US-20190117648-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-04-25 US disclosed
US-20180214444-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-08-02 US disclosed
US-20170368060-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-12-28 US disclosed
US-9839637-B1 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-12-12 US disclosed
US-20170231983-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-17 US disclosed
US-20170000786-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-01-05 US disclosed
US-20140163039-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-12 US disclosed
US-8618109-B2 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PARMACEUTICAL CO., LTD. (JP) 2013-12-31 US disclosed
US-20130158044-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-06-20 US disclosed
US-8349840-B2 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-08 US disclosed
US-20110152286-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. 2011-06-23 US disclosed
US-7888362-B2 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-02-15 US disclosed
EP-1869025-B1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMA CO LTD (JP) 2011-01-26 EP disclosed
US-20100179322-A1 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-07-15 US disclosed
EP-1869025-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 EP disclosed
WO-2006112464-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-10-26 WO 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 (12 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-20170368060-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C DRD2 126/4885PARP1 2844/4885PARP10 1443/4885
US-20100179322-A1 Piperazine-substituted benzothiophenes for treatment of mental disorders GRIN2C, TPH1, HTR2C DRD2 126/4885PARP1 2844/4885PARP10 1443/4885
US-20200237755-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C DRD2 126/4885PARP1 2844/4885PARP10 1443/4885
US-20190117648-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C DRD2 126/4885PARP1 2844/4885PARP10 1443/4885
US-20140163039-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS GRIN2C, TPH1, HTR2C DRD2 126/4885PARP1 2844/4885PARP10 1443/4885
US-20130158044-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS GRIN2C, TPH1, HTR2C DRD2 126/4885PARP1 2844/4885PARP10 1443/4885
US-20170000786-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C DRD2 126/4885PARP1 2844/4885PARP10 1443/4885
US-20180214444-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C DRD2 126/4885PARP1 2844/4885PARP10 1443/4885
US-20170231983-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C DRD2 126/4885PARP1 2844/4885PARP10 1443/4885
US-20210113556-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C DRD2 126/4885PARP1 2844/4885PARP10 1443/4885
US-20110152286-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS GRIN2C, TPH1, HTR2C DRD2 126/4885PARP1 2844/4885PARP10 1443/4885
US-20190321359-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C DRD2 126/4885PARP1 2844/4885PARP10 1443/4885

“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.