SCHEMBL1990168

SCHEMBL1990168

C=CCOc1[c]c(Cl)ccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
GAA P10253 1/20 0.34
HTR2C P28335 4/20 0.33
HPGD P15428 2/20 0.33
HTR2A P28223 2/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2A6 P11509 1/20 0.33
CXCR5 P32302 1/20 0.33
ATM Q13315 1/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
PTPRC P08575 1/20 0.33
LIG1 P18858 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL3840978 0.86 HPGD (0.38) TSHRGAAHPGDMAPK1HSD17B10
SCHEMBL15067115 0.78 MAPT (0.35) TSHRHTR2CHPGDMAPK1HSD17B10
SCHEMBL15068118 0.78 ADRA2A (0.36) TSHRGAAHPGDHTR2AMAPK1
SCHEMBL3523639 0.75 L3MBTL1 (0.38) TSHRCYP3A4ATMMEN1KMT2A
SCHEMBL15066511 0.74 HTR2C (0.39) TSHRGAAHTR2CHPGDHTR2A
SCHEMBL15066835 0.74 GAA (0.37) TSHRGAAHTR2CHPGDHTR2A
SCHEMBL17460051 0.74 AGER (0.35) TSHRHPGDMAPK1HSD17B10CYP3A4
SCHEMBL10648647 0.72 KMT2A (0.47) TSHRGAAHTR2CHPGDHTR2A
SCHEMBL25172614 0.72 KMT2A (0.34) HPGDMAPK1CYP2A6PTPRCKMT2A
SCHEMBL11241339 0.71 CA12 (0.34) CYP3A4CYP2A6PTPRCLIG1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107033139-B Heteroaryl piperidine and heteroaryl based piperazine derivative as fungicide 拜耳知识产权有限责任公司 2019-11-19 CN claimed
US-9975889-B2 Heteroaryl piperidine and heteroaryl piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-05-22 US claimed
US-9914728-B2 Heteroaryl piperidine and heteroaryl piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-03-13 US claimed
CN-107033139-A It is used as the heteroaryl piperidine and heteroaryl based piperazine derivative of fungicide 拜耳知识产权有限责任公司 2017-08-11 CN claimed
US-20170044153-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH 2017-02-16 US claimed
US-20170044154-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-16 US claimed
EP-2516426-B1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2015-09-16 EP claimed
US-20140057945-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-27 US claimed
US-8524743-B2 Bis(difluoromethyl)pyrazoles as fungicides BAYER CROPSCIENCE AG (DE) 2013-09-03 US claimed
US-20110224257-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER CROPSCIENCE AG (DE) 2011-09-15 US claimed
CN-107266382-B Heteroarylpiperidine and piperazine derivatives as fungicides 拜耳知识产权有限责任公司 2020-10-27 CN disclosed
US-10426169-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-10-01 US disclosed
US-10246420-B2 Pyrazole derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-02 US disclosed
EP-2921485-B1 ISOXAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2018-07-18 EP disclosed
EP-2921484-B1 OXAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2018-07-18 EP disclosed
US-8524743-B2 Bis(difluoromethyl)pyrazoles as fungicides BAYER CROPSCIENCE AG (DE) 2013-09-03 US disclosed
WO-2013098229-A2 HETEROARYLPIPERIDINE AND PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-04 WO disclosed
EP-2516426-A1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES Bayer CropScience AG (DE) 2012-10-31 EP disclosed
US-20110224257-A1 Bis(difluoromethyl)pyrazoles as Fungicides BAYER CROPSCIENCE AG (DE) 2011-09-15 US disclosed
WO-2011076699-A1 BIS(DIFLUORMETHYL)PYRAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-06-30 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-20170044154-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES PRXL2A, CYP1A1, CAT TSHR 3091/4885GAA 504/4885HTR2C 1238/4885
US-20170044153-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES PRXL2A, CYP1A1, CAT TSHR 3091/4885GAA 504/4885HTR2C 1238/4885
US-10426169-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides RB1, RBX1, RRP12 TSHR 2139/4885GAA 1717/4885HTR2C 1859/4885
US-10246420-B2 Pyrazole derivatives PDK3, PIR, CAT TSHR 4032/4885GAA 1321/4885HTR2C 3782/4885
US-20110224257-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 TSHR 3120/4885GAA 438/4885HTR2C 4327/4885
US-20140057945-A1 Bis(difluoromethyl)pyrazoles as Fungicides CYP1A1, CYP4X1, CYP2F1 TSHR 3120/4885GAA 438/4885HTR2C 4327/4885

“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.