SCHEMBL17757481

SCHEMBL17757481

CC1CCCCC2(CC1)Nc1ccccc1N=C2NCc1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 2/20 0.39
▸ CCNT1 O60563 3/20 0.35
▸ CDK9 P50750 2/20 0.35
▸ PDE9A O76083 2/20 0.35
▸ NOS3 P29474 2/20 0.34
▸ NOS1 P29475 2/20 0.34
▸ NOS2 P35228 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ ACHE P22303 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAOB P27338 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL17757464 0.97 ACAT2 (0.40) ACAT2CCNT1CDK9PDE9ANOS3
SCHEMBL17757886 0.95 ACAT2 (0.42) ACAT2CCNT1CDK9NOS3NOS1
SCHEMBL17757480 0.93 ACAT2 (0.36) ACAT2CCNT1CDK9PDE9ANOS3
SCHEMBL17757452 0.92 PDE9A (0.35) ACAT2CCNT1CDK9PDE9ANOS3
SCHEMBL17757440 0.90 ACAT2 (0.42) ACAT2NOS3NOS1NOS2MAPT
SCHEMBL17757478 0.90 ACAT2 (0.37) ACAT2CCNT1CDK9NOS3NOS1
SCHEMBL17757443 0.89 ACAT2 (0.41) ACAT2MAPTMAOBHTR6
SCHEMBL17757470 0.89 ACAT2 (0.41) ACAT2MAPTMAOBHTR6
SCHEMBL17757234 0.89 ACAT2 (0.41) ACAT2MAPTMAOBHTR6
SCHEMBL17757449 0.88 ACAT2 (0.42) ACAT2NOS3NOS1NOS2MAPT

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 6 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-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 (2 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 ACAT2 1935/4885CCNT1 4252/4885CDK9 3993/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ACAT2 1509/4885CCNT1 4420/4885CDK9 2877/4885

“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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