SCHEMBL458578

SCHEMBL458578

CCc1[c]ccc(C2CC2)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.35
SLC6A4 P31645 1/20 0.35
SIGMAR1 Q99720 1/20 0.32
HTR2C P28335 2/20 0.31
ESR2 Q92731 1/20 0.31
SPHK1 Q9NYA1 1/20 0.30
QDPR P09417 1/20 0.30

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
SCHEMBL7754078 0.80 EPHX2 (0.40) DRD2SLC6A4
SCHEMBL29026546 0.80 ESR2 (0.36) DRD2ESR2QDPR
SCHEMBL27748636 0.80 PRMT5 (0.33)
SCHEMBL9013264 0.78 DRD2 (0.31) DRD2SLC6A4
SCHEMBL510354 0.77 DRD2 (0.32) DRD2SLC6A4
SCHEMBL458384 0.76 DRD2 (0.36) DRD2SLC6A4ESR2SPHK1
SCHEMBL458962 0.72 HTR2C (0.37) HTR2CESR2QDPR
SCHEMBL15352997 0.72 PDE4A (0.32) DRD2
SCHEMBL15352765 0.71 PTPN1 (0.34) SLC6A4
SCHEMBL311359 0.70 TRPA1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104870422-B Amine derivative or its salt 富士胶片富山化学株式会社 2019-03-15 CN claimed
US-10986839-B2 Substituted oxadiazoles for combating phytopathogenic fungi BASF SE (DE) 2021-04-27 US disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
US-20190159454-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2019-05-30 US disclosed
US-10077254-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-09-18 US disclosed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
EP-3059233-B1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME SUMITOMO CHEMICAL CO (JP) 2017-12-20 EP disclosed
CN-104245689-B Terazololine-one compound and its purposes as insecticide 住友化学株式会社 2017-06-06 CN disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed
US-20160272622-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-22 US disclosed
CN-104326952-A METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO 2015-02-04 CN disclosed
CN-104277004-A METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO 2015-01-14 CN disclosed
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-25 US disclosed
CN-104245689-A Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL CO 2014-12-24 CN disclosed
US-8884010-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-11-11 US disclosed
WO-2013162072-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 US disclosed
CN-103180300-A Process for producing pyridazinone compound and intermediate thereof SUMITOMO CHEMICAL CO 2013-06-26 CN disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 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 (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-20190159454-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, ERG28, DPM1 DRD2 1535/4885SLC6A4 4285/4885SIGMAR1 3517/4885
US-10077254-B2 Tetrazolinone compound and use thereof MT-CO1, UQCRB, MT-CO2 DRD2 1670/4885SLC6A4 4588/4885SIGMAR1 958/4885
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 DRD2 1629/4885SLC6A4 2480/4885SIGMAR1 4345/4885
US-10986839-B2 Substituted oxadiazoles for combating phytopathogenic fungi CYP51A1, ERG28, DPM1 DRD2 1535/4885SLC6A4 4285/4885SIGMAR1 3517/4885
US-20160272622-A1 TETRAZOLINONE COMPOUND AND USE THEREOF MT-CO1, UQCRB, MT-CO2 DRD2 1670/4885SLC6A4 4588/4885SIGMAR1 958/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 DRD2 1629/4885SLC6A4 2480/4885SIGMAR1 4345/4885

“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.