SCHEMBL944353

SCHEMBL944353

COc1c[c]cc(F)c1OC

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.34
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CA9 Q16790 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
PTGS2 P35354 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
NFE2L2 Q16236 2/20 0.31
TUBB1 Q9H4B7 2/20 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
SCHEMBL533056 0.85 DBH (0.33) ACHEPDGFRBPDGFRATUBB1
SCHEMBL76231 0.83 ACHE (0.48) ACHECYP3A4MAPTCA9HTR2A
SCHEMBL27863792 0.82 HTR2A (0.42) MAPTHTR2AHTR2CHTR2BPTGS2
Fluoride SCHEMBL28104198 0.80 ACHE (0.46) ACHECYP3A4MAPTCA9HTR2A
SCHEMBL2288733 0.79 TUBB1 (0.33) CA9NFE2L2TUBB1
SCHEMBL2285774 0.77 TUBB1 (0.34) ACHENFE2L2TUBB1
SCHEMBL2284682 0.77 ACHE (0.30) ACHE
SCHEMBL2285493 0.76 MAPT (0.32) MAPT
SCHEMBL2286343 0.76 TAAR1 (0.32) HTR2AHTR2CHTR2B
SCHEMBL4049001 0.76 ALOX5 (0.39) CYP3A4MAPTCA9PTGS2NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118206551-A Quinoline compounds, their preparation and their use as antimalarial agents 美国卫生和人力服务部 2024-06-18 CN claimed
US-20210188843-A1 QUINOLINE COMPOUNDS AND THEIR PREPARATION AND USE AS ANTIMALARIAL AGENTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-06-24 US claimed
CN-112334468-A Quinoline compounds, their preparation and use as antimalarial agents 美国卫生和人力服务部 2021-02-05 CN claimed
US-10106516-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2018-10-23 US claimed
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-06-01 US claimed
CN-118206551-A Quinoline compounds, their preparation and their use as antimalarial agents 美国卫生和人力服务部 2024-06-18 CN disclosed
CN-116547273-A Herbicidal derivatives 先正达农作物保护股份公司 2023-08-04 CN disclosed
US-20210188843-A1 QUINOLINE COMPOUNDS AND THEIR PREPARATION AND USE AS ANTIMALARIAL AGENTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-06-24 US disclosed
EP-3790878-A1 QUINOLINE COMPOUNDS AND THEIR PREPARATION AND USE AS ANTIMALARIAL AGENTS The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2021-03-17 EP disclosed
CN-112334468-A Quinoline compounds, their preparation and use as antimalarial agents 美国卫生和人力服务部 2021-02-05 CN disclosed
WO-2019217957-A1 QUINOLINE COMPOUNDS AND THEIR PREPARATION AND USE AS ANTIMALARIAL AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-11-14 WO disclosed
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2013-11-21 US disclosed
US-20110218205-A1 Piperazine derivatives M'S SCIENCE CORP. 2011-09-08 US disclosed
US-7989394-B2 Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane compounds BASF SE (DE) 2011-08-02 US disclosed
US-7985751-B2 Piperazine derivatives M'S SCIENCE CORPORATION (JP) 2011-07-26 US disclosed
US-20110021539-A1 Pyrazinylpyrazoles BAYER CROPSCIENCE AG (DE) 2011-01-27 US disclosed
US-20090143395-A1 Piperazine Derivatives SUN CONNIE L 2009-06-04 US disclosed
US-20090131256-A1 Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane Compounds BASF SE (DE) 2009-05-21 US disclosed
EP-1931347-A2 PIPERAZINE DERIVATIVES M's Science Corporation (JP) 2008-06-18 EP disclosed
WO-2007021545-A2 PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2007-02-22 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 (8 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-10106516-B2 PDE10 inhibitors and related compositions and methods PDE10A, PDE9A, PDE7A ACHE 30/4885CYP3A4 908/4885MAPT 229/4885
US-20110021539-A1 Pyrazinylpyrazoles CYP4F3, CYP4B1, CYP1A2 ACHE 52/4885CYP3A4 9/4885MAPT 2855/4885
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 ACHE 707/4885CYP3A4 1552/4885MAPT 2667/4885
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A ACHE 30/4885CYP3A4 908/4885MAPT 229/4885
US-20090131256-A1 Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane Compounds AAAS, AIPL1, ATXN2 ACHE 813/4885CYP3A4 2419/4885MAPT 4268/4885
US-20090143395-A1 Piperazine Derivatives SIGMAR1, OPRK1, OPRL1 ACHE 1000/4885CYP3A4 1162/4885MAPT 3236/4885
US-20110218205-A1 Piperazine derivatives SIGMAR1, OPRK1, OPRM1 ACHE 912/4885CYP3A4 908/4885MAPT 3011/4885
US-20210188843-A1 QUINOLINE COMPOUNDS AND THEIR PREPARATION AND USE AS ANTIMALARIAL AGENTS GLS2, RECQL, PYGL ACHE 332/4885CYP3A4 66/4885MAPT 3651/4885

“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.