SCHEMBL17757184

SCHEMBL17757184

NC(=O)N1CCC2(CC1)Nc1ccccc1N=C2NCc1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ METAP2 P50579 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ ADORA2B P29275 2/20 0.36
▸ AKT2 P31751 1/20 0.36
▸ RPS6KB1 P23443 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ ACAT2 Q9BWD1 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
SCHEMBL17757183 0.92 KDM4E (0.38) METAP2KMT2ACHRM2CHRM3KDM4E
SCHEMBL17757185 0.91 THRB (0.38) METAP2KMT2ACHRM2CHRM3KDM4E
SCHEMBL17992072 0.89 KMT2A (0.38) METAP2KMT2ACHRM2CHRM3KDM4E
SCHEMBL17992057 0.88 CHRM2 (0.38) METAP2KMT2ACHRM2CHRM3KDM4E
SCHEMBL17992048 0.88 KMT2A (0.40) METAP2KMT2ACHRM2CHRM3KDM4E
SCHEMBL17758032 0.88 ACAT2 (0.39) HTR2AHTR6METAP2KMT2AKDM4E
SCHEMBL17992046 0.87 BRD4 (0.41) METAP2KMT2ACHRM2CHRM3KDM4E
SCHEMBL17757475 0.86 ACAT2 (0.43) HTR6KMT2AHDAC3HDAC1HDAC2
SCHEMBL17757186 0.85 ACAT2 (0.39) HTR6METAP2KMT2AKDM4EACAT2
SCHEMBL17757746 0.85 HRH4 (0.42) HTR1AHTR2AHTR7HTR6KMT2A

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 HTR1A 2172/4885HTR2A 1851/4885HTR7 2146/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 HTR1A 2491/4885HTR2A 2132/4885HTR7 2890/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 HTR1A 2511/4885HTR2A 2124/4885HTR7 2923/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 HTR1A 2491/4885HTR2A 2132/4885HTR7 2890/4885

“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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