SCHEMBL17757017

SCHEMBL17757017

CN1CCC2(CC1)Nc1ccccc1N=C2NCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 8/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ PDE5A O76074 1/20 0.37
▸ HRH1 P35367 2/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ HTR6 P50406 2/20 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
SCHEMBL17757205 0.91 DRD2 (0.40) HRH4DRD2DRD4HRH1HRH2
SCHEMBL17757746 0.88 HRH4 (0.42) HRH4DRD2DRD4HRH1HRH2
SCHEMBL17757801 0.86 HRH4 (0.38) HRH4ACHEPDE5AHRH1HRH2
SCHEMBL17757634 0.86 KMT2A (0.39) ACHE
SCHEMBL17757214 0.86 HRH4 (0.41) HRH4DRD2
SCHEMBL17757502 0.85 CCNT1 (0.38) HRH4ACHEPDE5AHRH1HRH2
SCHEMBL17757516 0.85 CCNT1 (0.39) HRH4ACHEPDE5AHRH1HRH2
SCHEMBL17757136 0.85 KDM4E (0.37) —
SCHEMBL17757208 0.85 HRH4 (0.41) HRH4DRD2DRD4HRH3
SCHEMBL17757653 0.85 KMT2A (0.41) ACHE

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 HRH4 3044/4885DRD2 2688/4885DRD4 3450/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 HRH4 2901/4885DRD2 3075/4885DRD4 3905/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 HRH4 2902/4885DRD2 3073/4885DRD4 3890/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 HRH4 2901/4885DRD2 3075/4885DRD4 3905/4885

“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.

Send feedback