SCHEMBL1037286

SCHEMBL1037286

O=c1[nH]ccc2ccc(OCCCCl)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
CHEK1 O14757 1/20 0.42
MAP2K1 Q02750 2/20 0.41
HDAC1 Q13547 1/20 0.39
ROCK1 Q13464 6/20 0.38
ROCK2 O75116 3/20 0.38
PRKACA P17612 1/20 0.38
PRKCD Q05655 1/20 0.38
PRKG1 Q13976 1/20 0.38
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
CDC42BPA Q5VT25 1/20 0.38
Q6ZSR9 Q6ZSR9 1/20 0.38
BMP2K Q9NSY1 1/20 0.38
CDC42BPB Q9Y5S2 1/20 0.38
PPARD Q03181 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL1038440 0.88 MAP2K1 (0.52) PARP1MAP2K1HDAC1ROCK1ROCK2
SCHEMBL11543134 0.79 MEN1 (0.58) HDAC1PPARDLTA4H
SCHEMBL31719871 0.78 PARP1 (0.41) PARP1CHEK1MAP2K1ROCK1ROCK2
SCHEMBL31719901 0.78 CYP17A1 (0.43) PARP1CHEK1MAP2K1ROCK1ROCK2
SCHEMBL30283694 0.78 KDM4E (0.43) PARP1CHEK1MAP2K1ROCK1ROCK2
SCHEMBL31308939 0.76 MEN1 (0.58) PARP1CHEK1ROCK1ROCK2PRKACA
SCHEMBL1036102 0.76 MEN1 (0.58) PARP1CHEK1ROCK1ROCK2PRKACA
SCHEMBL16676258 0.75 KDM4E (0.46) PARP1CHEK1ROCK1ROCK2PRKACA
SCHEMBL1544837 0.74 LTA4H (0.60) HDAC1PPARDLTA4H
SCHEMBL25243024 0.72 PARP1 (0.53) PARP1CHEK1ROCK1ROCK2PRKACA

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 PARP1 2844/4885CHEK1 4189/4885MAP2K1 2555/4885
US-20100179322-A1 Piperazine-substituted benzothiophenes for treatment of mental disorders GRIN2C, TPH1, HTR2C PARP1 2844/4885CHEK1 4189/4885MAP2K1 2555/4885
US-20200237755-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C PARP1 2844/4885CHEK1 4189/4885MAP2K1 2555/4885
US-20190117648-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C PARP1 2844/4885CHEK1 4189/4885MAP2K1 2555/4885
US-20140163039-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS GRIN2C, TPH1, HTR2C PARP1 2844/4885CHEK1 4189/4885MAP2K1 2555/4885
US-20130158044-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS GRIN2C, TPH1, HTR2C PARP1 2844/4885CHEK1 4189/4885MAP2K1 2555/4885
US-20170000786-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C PARP1 2844/4885CHEK1 4189/4885MAP2K1 2555/4885
US-20180214444-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C PARP1 2844/4885CHEK1 4189/4885MAP2K1 2555/4885
US-20170231983-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C PARP1 2844/4885CHEK1 4189/4885MAP2K1 2555/4885
US-20210113556-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C PARP1 2844/4885CHEK1 4189/4885MAP2K1 2555/4885
US-20110152286-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS GRIN2C, TPH1, HTR2C PARP1 2844/4885CHEK1 4189/4885MAP2K1 2555/4885
US-20190321359-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C PARP1 2844/4885CHEK1 4189/4885MAP2K1 2555/4885

“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.