SCHEMBL17757554

SCHEMBL17757554

COc1c(Cl)cccc1CNC1=Nc2ccccc2NC12CCOCC2

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.32
▸ ACAT2 Q9BWD1 2/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ PIK3CB P42338 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ MAPT P10636 4/20 0.32
▸ GAA P10253 4/20 0.32
▸ TSHR P16473 2/20 0.32
▸ EIF2AK1 Q9BQI3 1/20 0.32
▸ PDE2A O00408 1/20 0.31
▸ ALDH1A1 P00352 4/20 0.31
▸ KDM4E B2RXH2 3/20 0.31
▸ MAPK1 P28482 3/20 0.31
▸ PDE7B Q9NP56 2/20 0.31
▸ TP53 P04637 2/20 0.31
▸ POLB P06746 1/20 0.30
▸ CRHBP P24387 1/20 0.30
▸ CRHR2 Q13324 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL17757863 0.90 PDE7B (0.37) P2RX7ACAT2L3MBTL1MAPTGAA
SCHEMBL17757298 0.89 ACAT2 (0.43) P2RX7ACAT2L3MBTL1MAPTGAA
SCHEMBL17757325 0.89 PIK3CA (0.39) ACAT2PIK3CAPIK3CBMAPTGAA
SCHEMBL17757398 0.89 ACAT2 (0.34) P2RX7ACAT2L3MBTL1MAPTGAA
SCHEMBL17757229 0.87 PIK3CA (0.40) P2RX7ACAT2PIK3CAPIK3CBMAPT
SCHEMBL17757230 0.85 PIK3CA (0.34) P2RX7ACAT2PIK3CAPIK3CBMAPT
SCHEMBL17758058 0.85 GAA (0.40) L3MBTL1MAPTGAATSHREIF2AK1
SCHEMBL17757524 0.84 SLC6A4 (0.36) P2RX7ACAT2PIK3CAPIK3CBPDE2A
SCHEMBL17757490 0.83 — —
SCHEMBL17757340 0.81 CYP2A13 (0.36) ACAT2PIK3CAPIK3CBMAPTPDE2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3021847-B1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM GESUNDHEIT & UMWELT GMBH (DE) 2023-06-07 — — EP disclosed
US-RE48992-E1 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN-DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2022-03-29 — — US disclosed
US-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2020-05-12 — — US disclosed
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2019-05-07 — — US disclosed
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUNCHEN DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) (DE) 2018-03-08 — — US disclosed
US-9802956-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MUNCHEN-DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) (DE) 2017-10-31 — — US disclosed
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUNCHEN (DE) 2016-08-04 — — US disclosed
WO-2016075137-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2016-05-19 — — 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 (4 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-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 P2RX7 1390/4885ACAT2 1935/4885PIK3CA 2107/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 P2RX7 1090/4885ACAT2 1509/4885PIK3CA 1716/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 P2RX7 1185/4885ACAT2 1431/4885PIK3CA 1721/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 P2RX7 1090/4885ACAT2 1509/4885PIK3CA 1716/4885

“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.

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