SCHEMBL17758093

SCHEMBL17758093

CN(C)CCOC1CCC2(CC1)Nc1ccccc1N=C2NCc1cccc(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ MAPK8 P45983 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CARM1 Q86X55 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.31
▸ GRM4 Q14833 1/20 0.31
▸ BRD4 O60885 2/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ EIF2AK1 Q9BQI3 1/20 0.30
▸ NOS3 P29474 1/20 0.30
▸ NOS1 P29475 1/20 0.30
▸ NOS2 P35228 1/20 0.30
▸ CCNT1 O60563 2/20 0.30
▸ CDK9 P50750 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
SCHEMBL17758085 0.89 ACAT2 (0.35) ACAT2MAPK8KMT2AGRM4NOS3
SCHEMBL17758098 0.89 ACAT2 (0.36) ACAT2MAPK8KMT2ACARM1PRMT6
SCHEMBL21982590 0.87 CARM1 (0.36) ACAT2TAAR1CARM1PRMT6BRD4
SCHEMBL17757906 0.87 TAAR1 (0.35) ACAT2TAAR1KMT2ABRD4NOS3
SCHEMBL17758097 0.87 DPP4 (0.40) ACAT2MAPK8KMT2ARXFP1GRM4
SCHEMBL17757883 0.85 ACAT2 (0.36) ACAT2TAAR1KMT2ANOS3NOS1
SCHEMBL17757474 0.85 MAOB (0.37) ACAT2KMT2AHTR6NOS3NOS1
SCHEMBL17757886 0.84 ACAT2 (0.42) ACAT2KMT2ANOS3NOS1NOS2
SCHEMBL17757433 0.83 ACAT2 (0.33) ACAT2TAAR1KMT2ABRD4CCNT1
SCHEMBL17757477 0.83 TAAR1 (0.36) ACAT2TAAR1KMT2ARXFP1GRM4

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 7 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-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 (3 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-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ACAT2 1509/4885TAAR1 878/4885MAPK8 765/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 ACAT2 1431/4885TAAR1 896/4885MAPK8 762/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ACAT2 1509/4885TAAR1 878/4885MAPK8 765/4885

“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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