SCHEMBL4884473

SCHEMBL4884473

C=CCOc1c[c]ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 1/20 0.40
HTR2C P28335 10/20 0.38
HTR2A P28223 6/20 0.38
HTR2B P41595 6/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 1/20 0.36
LIG1 P18858 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL10928071 0.86 ADRA2A (0.40) ADRA2AADRA2BADRA2CTSHRGAA
SCHEMBL3464239 0.83 HPGD (0.39) ADRA2AADRA2BADRA2CTSHRGAA
SCHEMBL16395176 0.82 HTR2C (0.38) ADRA2AADRA2BADRA2CTSHRGAA
SCHEMBL6601793 0.80 ALDH1A1 (0.41) ADRA2AADRA2BADRA2CTSHRGAA
SCHEMBL28033646 0.79 TSHR (0.36) ADRA2AADRA2BADRA2CTSHRGAA
SCHEMBL7688247 0.77 KDM4E (0.42) GAAHSD17B10HPGDALDH1A1CYP3A4
SCHEMBL3971417 0.77 KDM4E (0.46) GAAHTR2AHSD17B10HPGDALDH1A1
SCHEMBL6197092 0.76 ALDH1A1 (0.41) ADRA2AADRA2BADRA2CTSHRGAA
SCHEMBL16394920 0.76 HTR2C (0.39) ADRA2AADRA2BADRA2CTSHRGAA
SCHEMBL27982832 0.76 HPGD (0.34) ADRA2AADRA2BADRA2CTSHRHTR2C

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
EP-0078099-B1 SUBSTITUTED PHENYL (THIONO)CARBAMATES, HERBICIDAL COMPOSITIONS CONTAINING THE SAME AS ACIVE INGREDIENT AND METHOD OF CONTROLLING WEEDS KURARAY CO., LTD. (JP) 1985-11-27 EP 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
EP-2921484-B1 OXAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2018-07-18 EP disclosed
EP-2921485-B1 ISOXAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2018-07-18 EP disclosed
US-20180103641-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-19 US disclosed
EP-2921495-B1 HETEROARYLPIPERIDINE AND HETEROARYLPIPERAZINE DERIVATIVES AS FUNGICIDES BAYER IP GMBH (DE) 2018-03-28 EP disclosed
CN-107266383-A It is used as the heteroaryl piperidine and heteroaryl based piperazine derivative of bactericide 拜耳知识产权有限责任公司 2017-10-20 CN disclosed
CN-107266382-A It is used as the heteroaryl piperidine and heteroaryl based piperazine derivative of bactericide 拜耳知识产权有限责任公司 2017-10-20 CN disclosed
CN-107253947-A It is used as the heteroaryl piperidine and heteroaryl based piperazine derivative of bactericide 拜耳知识产权有限责任公司 2017-10-17 CN disclosed
EP-2921485-A1 ISOXAZOLE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2015-09-23 EP disclosed
EP-2921484-A1 OXAZOLE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2015-09-23 EP disclosed
EP-2921481-A1 4-PIPERIDINE CARBOXYLIC ACID DERIVATIVES Bayer Intellectual Property GmbH (DE) 2015-09-23 EP disclosed
EP-2921491-A1 INTERMEDIATES FOR THE PRODUCTION OF HETEROARYLPIPERIDINE AND HETEROARYLPIPERAZINE DERIVATIVES AS FUNGICIDES Bayer Intellectual Property GmbH (DE) 2015-09-23 EP disclosed
EP-2921494-A1 HETEROARYLPIPERIDINE AND HETEROARYLPIPERAZINE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2015-09-23 EP disclosed
US-20150024935-A1 HETEROARYLPIPERIDINE AND PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-22 US disclosed
US-20080293939-A1 QUINAZOLINONE DERIVATIVES USEFUL AS ANTI-HYPERALGESIC AGENTS CULSHAW ANDREW JAMES 2008-11-27 US disclosed
CN-100432059-C Quinazolinone derivatives useful as anti-hyperalgesic agents NOVARTIS AG (CH) 2008-11-12 CN disclosed
US-20060154942-A1 Quinazolinone derivatives useful as anti-hyperalgesic agents CULSHAW ANDREW J 2006-07-13 US disclosed
CN-1711249-A Quinazolinone derivatives useful as anti-hyperalgesic agents NOVARTIS AG (CH) 2005-12-21 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 (5 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-20080293939-A1 QUINAZOLINONE DERIVATIVES USEFUL AS ANTI-HYPERALGESIC AGENTS OPRK1, OPRL1, TRPV1 ADRA2A 104/4885ADRA2B 218/4885ADRA2C 82/4885
US-10426169-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides RB1, RBX1, RRP12 ADRA2A 1209/4885ADRA2B 1883/4885ADRA2C 1245/4885
US-20180103641-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES RB1, RBX1, RRP12 ADRA2A 1209/4885ADRA2B 1883/4885ADRA2C 1245/4885
US-20150024935-A1 HETEROARYLPIPERIDINE AND PIPERAZINE DERIVATIVES AS FUNGICIDES RB1, RBX1, RRP12 ADRA2A 1371/4885ADRA2B 1938/4885ADRA2C 1457/4885
US-20060154942-A1 Quinazolinone derivatives useful as anti-hyperalgesic agents OPRK1, OPRL1, TRPV1 ADRA2A 104/4885ADRA2B 218/4885ADRA2C 82/4885

“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.