SCHEMBL17757180

SCHEMBL17757180

c1ccc(Oc2ccccc2CNC2=Nc3ccccc3NC23CCNCC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 7/20 0.42
▸ SMOX Q9NWM0 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ ACAT2 Q9BWD1 2/20 0.36
▸ SLC6A4 P31645 4/20 0.33
▸ SLC6A2 P23975 3/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ HTR2A P28223 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ CCR8 P51685 1/20 0.32
▸ KCNH2 Q12809 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
SCHEMBL17757446 0.91 MAOA (0.42) MAOASMOXKDM4CSLC6A4SLC6A2
SCHEMBL17757365 0.89 MAOA (0.41) MAOASMOXKDM4CSLC6A4SLC6A2
SCHEMBL17757221 0.89 MAOA (0.41) MAOASMOXKDM4CSLC6A4SLC6A2
SCHEMBL17757724 0.87 CYP2D6 (0.44) ACAT2
SCHEMBL17757287 0.85 HDAC3 (0.39) ACAT2SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL17757175 0.85 FFAR1 (0.35) KDM4CACAT2
SCHEMBL17757173 0.82 FFAR1 (0.41) ACAT2
SCHEMBL17757304 0.82 ACAT2 (0.50) ACAT2
SCHEMBL17757296 0.82 SLC6A2 (0.39) MAOAACAT2SLC6A4SLC6A2SLC6A3
SCHEMBL17992064 0.81 ACAT2 (0.39) ACAT2

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 MAOA 2869/4885SMOX 2156/4885KDM4C 4540/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 MAOA 3090/4885SMOX 1208/4885KDM4C 4510/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 MAOA 3092/4885SMOX 1227/4885KDM4C 4514/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 MAOA 3090/4885SMOX 1208/4885KDM4C 4510/4885

“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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