SCHEMBL96048

SCHEMBL96048

[O]CCCCOCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 3/20 0.44
NAAA Q02083 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
TEAD3 Q99594 1/20 0.43
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNA3 P22001 1/20 0.42
KCNA5 P22460 1/20 0.42

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
SCHEMBL97794 0.98 L3MBTL1 (0.54) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL96808 0.98 L3MBTL1 (0.54) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL2067114 0.94 TSHR (0.58) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL9329653 0.90 TSHR (0.54) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL2640223 0.89 TSHR (0.70) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL9011595 0.87 TSHR (0.67) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL9011624 0.87 TSHR (0.67) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL9011646 0.87 TSHR (0.67) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL9011734 0.87 TSHR (0.67) TSHRL3MBTL1TDP1HRH4HRH3
SCHEMBL9011715 0.87 TSHR (0.67) TSHRL3MBTL1TDP1HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230099694-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-03-30 US disclosed
US-20210052575-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-25 US disclosed
US-20200061056-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-02-27 US disclosed
US-20190167672-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-06-06 US disclosed
EP-3459941-A1 PYRROLIDINE DERIVATIVE Kissei Pharmaceutical Co., Ltd. (JP) 2019-03-27 EP disclosed
US-20180318294-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-11-08 US disclosed
US-20180092907-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-04-05 US disclosed
US-20170071933-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-03-16 US disclosed
EP-2753617-B9 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMA CO LTD (JP) 2017-01-25 EP disclosed
US-9539252-B2 Piperazine-substituted benzothiophene derivatives as antipsychotic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-01-10 US disclosed
US-6166036-A Lp(a)-lowering agent and apolipoprotein (a) formation suppressing agent TAIHO PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-1000620-A1 Lp(a)-LOWERING AGENTS AND APOPROTEIN (a) PRODUCTION INHIBTORS TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-05-17 EP disclosed
US-5659065-A CHEMICAL INTERMEDIATES FOR MEDICINAL ACTIVE AGENTS NOVARTIS CORPORATION (US) 1997-08-19 US disclosed
EP-0393607-B1 Phenylcarboxylic acid derivatives having a hetero ring OTSUKA PHARMA CO LTD (JP) 1996-02-21 EP disclosed
EP-0678500-A1 Alpha-amino alkanoic acids and reduction products as intermediates in the preparation of renin inhibitors CIBA-GEIGY AG (CH) 1995-10-25 EP disclosed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
US-5145865-A Fatty acid, cholesterol synthesis inhibitors; enzyme inhibitors; antilipemic agents OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1992-09-08 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
EP-0393607-A2 Phenylcarboxylic acid derivatives having a hetero ring OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-10-24 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP 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 (7 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-20230099694-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 TSHR 1644/4885L3MBTL1 2967/4885TDP1 4048/4885
US-20170071933-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 TSHR 1644/4885L3MBTL1 2967/4885TDP1 4048/4885
US-20180318294-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 TSHR 1644/4885L3MBTL1 2967/4885TDP1 4048/4885
US-20210052575-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, SULT2A1, CYP4Z1 TSHR 1868/4885L3MBTL1 3656/4885TDP1 4353/4885
US-20200061056-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 TSHR 1644/4885L3MBTL1 2967/4885TDP1 4048/4885
US-20180092907-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 TSHR 1644/4885L3MBTL1 2967/4885TDP1 4048/4885
US-20190167672-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 TSHR 1644/4885L3MBTL1 2967/4885TDP1 4048/4885

“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.