SCHEMBL17757189

SCHEMBL17757189

FC(F)CN1CCC2(CC1)Nc1ccccc1N=C2NCc1cccc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 1/20 0.36
▸ MAOB P27338 2/20 0.34
▸ HTR6 P50406 2/20 0.34
▸ KCNN3 Q9UGI6 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ DOCK5 Q9H7D0 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ CLPP Q16740 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MAPK8 P45983 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL19934619 0.91 ACAT2 (0.35) ACAT2MAOBHTR6KCNN3CHRM2
SCHEMBL17757190 0.88 MAOB (0.36) ACAT2MAOBHTR6LMNAMAPT
SCHEMBL17757740 0.88 ACAT2 (0.37) ACAT2MAOBHTR6KCNN3LMNA
SCHEMBL17757188 0.87 FABP4 (0.36) ACAT2MAOBHTR6LMNAMAPT
SCHEMBL17757475 0.86 ACAT2 (0.43) ACAT2MAOBHTR6LMNAMAPT
SCHEMBL17757762 0.86 ACAT2 (0.36) ACAT2MAOBHTR6LMNAMAPT
SCHEMBL17758032 0.85 ACAT2 (0.39) ACAT2MAOBHTR6LMNAMAPT
SCHEMBL17757746 0.85 HRH4 (0.42) ACAT2MAOBHTR6CHRM2CHRM3
SCHEMBL17757186 0.85 ACAT2 (0.39) ACAT2MAOBHTR6KCNN3LMNA
SCHEMBL25664185 0.85 ACAT2 (0.36) ACAT2MAOBHTR6LMNAMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1935/4885MAOB 2633/4885HTR6 1352/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ACAT2 1509/4885MAOB 2833/4885HTR6 1384/4885

“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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