SCHEMBL1047725

SCHEMBL1047725

[O]CCCc1cccc(F)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.59
SLC6A3 Q01959 2/20 0.54
DRD2 P14416 1/20 0.54
SLC6A4 P31645 1/20 0.54
DAO P14920 2/20 0.47
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
HTR2B P41595 1/20 0.46

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
SCHEMBL1043920 0.94 TAAR1 (0.57) TAAR1SLC6A3DRD2SLC6A4DAO
SCHEMBL1047218 0.92 TAAR1 (0.55) TAAR1SLC6A3DRD2SLC6A4DAO
SCHEMBL28797685 0.92 TAAR1 (0.55) TAAR1SLC6A3DRD2SLC6A4DAO
SCHEMBL1047252 0.87 TAAR1 (0.63) TAAR1SLC6A3DRD2SLC6A4DAO
SCHEMBL17117518 0.83 TAAR1 (0.59) TAAR1SLC6A3DRD2SLC6A4DAO
SCHEMBL3371633 0.82 TAAR1 (0.74) TAAR1SLC6A3DRD2SLC6A4DAO
SCHEMBL16038467 0.81 TAAR1 (0.67) TAAR1SLC6A3DRD2SLC6A4DAO
SCHEMBL8727622 0.79 TAAR1 (0.59) TAAR1SLC6A3DRD2SLC6A4DAO
SCHEMBL81108 0.79 TAAR1 (0.59) TAAR1SLC6A3DRD2SLC6A4DAO
SCHEMBL900638 0.79 TAAR1 (0.59) TAAR1SLC6A3DRD2SLC6A4DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114787150-A Alkynyl quinazoline compounds 黑钻治疗公司 2022-07-22 CN disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
EP-3040332-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-06-03 EP disclosed
EP-2990404-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-05-27 EP disclosed
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-9867372-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-16 US disclosed
US-9730448-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-15 US disclosed
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 EP disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 US disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
EP-2841429-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-19 US disclosed
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-29 US disclosed
WO-2013162072-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
EP-2269694-A2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-05 EP disclosed
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
WO-2007043542-A9 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2008-05-08 WO disclosed
CN-1668601-A N-substituted tricyclic 3-aminopyrazoles as PDFG receptor inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-09-14 CN 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 (6 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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TAAR1 1385/4885SLC6A3 3190/4885DRD2 2614/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TAAR1 1385/4885SLC6A3 3190/4885DRD2 2614/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 TAAR1 1102/4885SLC6A3 3704/4885DRD2 1920/4885
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 TAAR1 87/4885SLC6A3 4006/4885DRD2 760/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 TAAR1 1102/4885SLC6A3 3704/4885DRD2 1920/4885
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES CBR3, CYCS, CBR1 TAAR1 66/4885SLC6A3 3821/4885DRD2 671/4885

“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.