SCHEMBL17757112

SCHEMBL17757112

c1ccc(N2CCCC2)c(CNC2=Nc3ccccc3NC23CCCCC3)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 1/20 0.39
▸ FABP4 P15090 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ADRA1A P35348 2/20 0.35
▸ FAAH O00519 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ LIPG Q9Y5X9 2/20 0.34
▸ BRD9 Q9H8M2 3/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ KCNQ2 O43526 1/20 0.33
▸ SCN2A Q99250 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ BRPF1 P55201 1/20 0.32
▸ BRD7 Q9NPI1 1/20 0.32
▸ ACHE P22303 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
SCHEMBL17757735 0.92 BRD9 (0.38) FABP3FABP4CYP3A4CYP2C19ADRA1A
SCHEMBL17758050 0.91 BRD9 (0.39) FABP3FABP4CYP3A4CYP2C19ADRA1A
SCHEMBL17757086 0.91 FABP3 (0.35) FABP3FABP4CYP3A4CYP2C19ADRA1A
SCHEMBL17757244 0.83 PDE7A (0.39) CYP3A4CYP2C19KMT2A
SCHEMBL17757459 0.83 PDE7A (0.39) CYP3A4CYP2C19KMT2A
SCHEMBL17757119 0.83 ALDH1A1 (0.40) CYP3A4CYP2C19TRPV1KMT2AACHE
SCHEMBL17757132 0.82 PIM1 (0.34) KMT2A
SCHEMBL17757849 0.82 CYP3A4 (0.34) CYP3A4CYP2C19KMT2A
SCHEMBL17757236 0.82 KMT2A (0.48) CYP3A4CYP2C19KMT2A
SCHEMBL17757118 0.82 ACAT2 (0.37) BRD9BRD4KMT2A

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 FABP3 333/4885FABP4 876/4885CYP3A4 4048/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 FABP3 700/4885FABP4 1944/4885CYP3A4 4330/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 FABP3 741/4885FABP4 1977/4885CYP3A4 4375/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 FABP3 700/4885FABP4 1944/4885CYP3A4 4330/4885

“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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