SCHEMBL2460118

SCHEMBL2460118

N#Cc1ccc(C=O)c(OC(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.39
RAD51 Q06609 1/20 0.36
TRPV4 Q9HBA0 2/20 0.36
TRPA1 O75762 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NTRK1 P04629 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
PNMT P11086 1/20 0.33
APP P05067 1/20 0.33
EPAS1 Q99814 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TMPRSS4 Q9NRS4 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KIF11 P52732 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
SCHEMBL15778027 0.87 EPAS1 (0.38) HRH4RAD51TRPV4TRPA1SCN5A
SCHEMBL29354273 0.87 EPAS1 (0.38) HRH4RAD51TRPV4TRPA1SCN5A
SCHEMBL5043182 0.80 APP (0.42) TRPV4ALDH1A1APPL3MBTL1
SCHEMBL4600184 0.79 KIF11 (0.43) TRPA1SCN5ASCN9AALDH1A1EPAS1
SCHEMBL2463638 0.79 PDE4A (0.41) RAD51TRPV4ALDH1A1EPAS1CA1
SCHEMBL2464656 0.79 PDE3B (0.37) HRH4NTRK1BACE2MAOAMAOB
SCHEMBL29955071 0.78 ALDH1A1 (0.58) RAD51ALDH1A1L3MBTL1
SCHEMBL1398327 0.78 ALDH1A1 (0.58) RAD51ALDH1A1L3MBTL1
SCHEMBL28194011 0.76 HRH4 (0.41) HRH4TRPV4TRPA1SCN5ASCN9A
SCHEMBL1220795 0.76 ALDH1A1 (0.40) HRH4ALDH1A1MAOAMAOBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403570-B Mu-opioid receptor agonist, preparation method thereof and application thereof in medicine field 上海华汇拓医药科技有限公司 2024-10-22 CN disclosed
WO-2022268066-A1 PROTEIN DEGRADATION AGENT 苏州开拓药业股份有限公司 2022-12-29 WO disclosed
EP-3686198-B1 MU-OPIOID RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF IN FIELD OF MEDICINE SHANGHAI SYNERGY PHARMACEUTICAL SCIENCES CO LTD (CN) 2022-12-14 EP disclosed
CN-115403570-A Mu-opioid receptor agonist, preparation method thereof and application thereof in medicine field 上海华汇拓医药科技有限公司 2022-11-29 CN disclosed
CN-109516982-B Mu-opioid receptor agonist, preparation method thereof and application thereof in medicine field 上海华汇拓医药科技有限公司 2022-08-23 CN disclosed
US-11072601-B2 μ-opioid receptor agonist and preparation method therefor and use thereof in field of medicine SHANGHAI SYNERGY PHARMACEUTICAL SCIENCES CO., LTD. (CN) 2021-07-27 US disclosed
US-20200270230-A1 µ-OPIOID RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF IN FIELD OF MEDICINE ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2020-08-27 US disclosed
EP-3686198-A1 mu-OPIOID RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF IN FIELD OF MEDICINE Shanghai Synergy Pharmaceutical Sciences Co., Ltd (CN) 2020-07-29 EP disclosed
EP-2035419-B1 5-ARYL-SUBSTITUTED DIHYDROPYRIDOPYRIMIDINES AND DIHYDROPYRIDAZINES AND USE THEREOF AS MINERAL CORTICOID ANTAGONISTS BAYER IP GMBH (DE) 2016-06-22 EP disclosed
EP-2035419-B1 5-ARYL-SUBSTITUTED DIHYDROPYRIDOPYRIMIDINES AND DIHYDROPYRIDAZINES AND USE THEREOF AS MINERAL CORTICOID ANTAGONISTS BAYER IP GMBH (DE) 2016-06-22 EP disclosed
EP-2132206-A2 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINAMIDES AND USE THEREOF Bayer Schering Pharma AG (DE) 2009-12-16 EP disclosed
EP-2035419-A1 5-ARYL-SUBSTITUTED DIHYDROPYRIDOPYRIMIDINES AND DIHYDROPYRIDAZINES AND USE THEREOF AS MINERAL CORTICOID ANTAGONISTS Bayer HealthCare AG (DE) 2009-03-18 EP disclosed
EP-2029591-A1 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINES AND USE THEREOF Bayer HealthCare AG (DE) 2009-03-04 EP disclosed
WO-2008104306-A2 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINAMIDES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 WO disclosed
WO-2008104306-A2 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINAMIDES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 WO disclosed
WO-2008034534-A1 3-CYANO-5-THIAZAHETEROARYL-DIHYDROPYRIDINE AND THE USE THEREOF FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-27 WO disclosed
WO-2007140934-A1 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-13 WO disclosed
WO-2007140934-A1 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-13 WO disclosed
WO-2007140894-A1 5-ARYL-SUBSTITUTED DIHYDROPYRIDOPYRIMIDINES AND DIHYDROPYRIDAZINES AND USE THEREOF AS MINERAL CORTICOID ANTAGONISTS BAYER HEALTHCARE AG (DE) 2007-12-13 WO disclosed
WO-2007140894-A1 5-ARYL-SUBSTITUTED DIHYDROPYRIDOPYRIMIDINES AND DIHYDROPYRIDAZINES AND USE THEREOF AS MINERAL CORTICOID ANTAGONISTS BAYER HEALTHCARE AG (DE) 2007-12-13 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 (2 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-11072601-B2 μ-opioid receptor agonist and preparation method therefor and use thereof in field of medicine OPRM1, OPRD1, OPRK1 HRH4 509/4885RAD51 4415/4885TRPV4 243/4885
US-20200270230-A1 µ-OPIOID RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF IN FIELD OF MEDICINE OPRM1, OPRD1, OPRK1 HRH4 474/4885RAD51 4388/4885TRPV4 251/4885

“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.