SCHEMBL17758092

SCHEMBL17758092

Cc1cc(C)cc(CNC2=Nc3ccccc3NC23CCOCC3)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.34
▸ LMNA P02545 2/20 0.32
▸ PKM P14618 2/20 0.31
▸ ICMT O60725 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ACAT2 Q9BWD1 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
SCHEMBL17757044 0.91 PDE2A (0.38) OPRM1LMNAICMTTSHRPIK3CB
SCHEMBL17757018 0.91 LMNA (0.39) OPRM1LMNAPKMTSHRCRHBP
SCHEMBL17757630 0.89 KMT2A (0.41) LMNAHTTKDM4EMAPTNPC1
SCHEMBL17757217 0.88 TACR1 (0.37) OPRM1KDM4EMAPTNPC1GAA
SCHEMBL17757836 0.87 HTT (0.38) LMNAPKMTSHRCRHBPPIK3CB
SCHEMBL17757095 0.87 ACAT2 (0.32) KDM4EMAPTNPC1GAARAB9A
SCHEMBL17758061 0.85 ELANE (0.35) LMNAPIK3CBHTTGAAALDH1A1
SCHEMBL17758035 0.85 ELANE (0.38) LMNAPIK3CBMAPTGAAKMT2A
SCHEMBL17757540 0.83 GAA (0.34) LMNAHTTKDM4EMAPTNPC1
SCHEMBL17758081 0.83 LMNA (0.36) OPRM1LMNAHTTGAAMAPK1

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 OPRM1 3853/4885LMNA 2101/4885PKM 608/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 OPRM1 4069/4885LMNA 1655/4885PKM 611/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 OPRM1 4032/4885LMNA 1695/4885PKM 609/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 OPRM1 4069/4885LMNA 1655/4885PKM 611/4885

“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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