SCHEMBL17757724

SCHEMBL17757724

COc1ccccc1CNC1=Nc2ccccc2NC12CCNCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ GAA P10253 4/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ RCOR1 Q9UKL0 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ACAT2 Q9BWD1 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GNAI3 P08754 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL17757852 0.90 GAA (0.41) CYP2D6GAAHSD17B10KDM1ARCOR1
SCHEMBL17758058 0.88 GAA (0.40) CYP2D6GAAHSD17B10KDM1ARCOR1
SCHEMBL17758055 0.88 GAA (0.40) GAAHSD17B10KDM1ARCOR1ATM
SCHEMBL17757287 0.87 HDAC3 (0.39) CYP2D6ACAT2
SCHEMBL17757180 0.87 MAOA (0.42) ACAT2
SCHEMBL17757293 0.87 ACAT2 (0.37) CYP2D6USP2ACAT2
SCHEMBL17757282 0.85 ACAT2 (0.49) ACAT2MAPK1
SCHEMBL17757298 0.85 ACAT2 (0.43) GAAL3MBTL1ACAT2ALDH1A1MAPT
SCHEMBL17757304 0.84 ACAT2 (0.50) CYP2D6GAAHSD17B10ACAT2MEN1
SCHEMBL17757738 0.83 ACAT2 (0.38) 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 CYP2D6 3686/4885USP2 4257/4885GAA 2647/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 CYP2D6 3869/4885USP2 4407/4885GAA 1605/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 CYP2D6 3957/4885USP2 4403/4885GAA 1609/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 CYP2D6 3869/4885USP2 4407/4885GAA 1605/4885

“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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