SCHEMBL1037299

SCHEMBL1037299

COc1ccc2ccn(CCCCCl)c(=O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNF P01375 5/20 0.46
GRM2 Q14416 1/20 0.46
P2RX3 P56373 1/20 0.44
MCL1 Q07820 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL5501998 0.78 HDAC3 (0.38) TNFGRM2HDAC3HDAC1HDAC6
SCHEMBL1039402 0.77 DDR1 (0.41) TNFMCL1KDM4EMEN1MAPT
SCHEMBL1035977 0.76 TNF (0.56) TNFKDM4EMAPT
SCHEMBL15265084 0.76 KDM4E (0.58) TNFGRM2HDAC3HDAC1HDAC6
SCHEMBL9922460 0.75 TXNRD1 (0.46) HTR2AHTR2CTXNRD1TXNRD3TXNRD2
SCHEMBL2611306 0.74 HDAC6 (0.52) MCL1HDAC3HDAC1HDAC6
SCHEMBL2116182 0.74 MCL1 (0.53) TNFMCL1HDAC3HDAC1HDAC6
SCHEMBL2619282 0.73 HDAC6 (0.50) MCL1HDAC3HDAC1HDAC6
SCHEMBL2116350 0.73 HDAC6 (0.55) TNFMCL1HDAC3HDAC1HDAC6
SCHEMBL13222875 0.72 TNF (0.47) TNFGRM2HDAC6CNR2

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 TNF 4086/4885GRM2 24/4885P2RX3 453/4885
US-20100179322-A1 Piperazine-substituted benzothiophenes for treatment of mental disorders GRIN2C, TPH1, HTR2C TNF 4086/4885GRM2 24/4885P2RX3 453/4885
US-20200237755-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C TNF 4086/4885GRM2 24/4885P2RX3 453/4885
US-20190117648-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C TNF 4086/4885GRM2 24/4885P2RX3 453/4885
US-20140163039-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS GRIN2C, TPH1, HTR2C TNF 4086/4885GRM2 24/4885P2RX3 453/4885
US-20130158044-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS GRIN2C, TPH1, HTR2C TNF 4086/4885GRM2 24/4885P2RX3 453/4885
US-20170000786-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C TNF 4086/4885GRM2 24/4885P2RX3 453/4885
US-20180214444-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C TNF 4086/4885GRM2 24/4885P2RX3 453/4885
US-20170231983-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C TNF 4086/4885GRM2 24/4885P2RX3 453/4885
US-20210113556-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C TNF 4086/4885GRM2 24/4885P2RX3 453/4885
US-20110152286-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS GRIN2C, TPH1, HTR2C TNF 4086/4885GRM2 24/4885P2RX3 453/4885
US-20190321359-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C TNF 4086/4885GRM2 24/4885P2RX3 453/4885

“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.