SCHEMBL17757015

SCHEMBL17757015

Cc1cc(C)c2c(c1)NC1(CCNCC1)C(NCc1ccccc1)=N2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.36
▸ HTT P42858 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ ACAT2 Q9BWD1 2/20 0.35
▸ NOS2 P35228 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CYP1A2 P05177 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
SCHEMBL17757121 0.90 ACHE (0.39) ACHEHTTLMNASMN1; SMN2RAB9A
SCHEMBL17757804 0.87 ACAT2 (0.41) ACHEHTTLMNASMN1; SMN2RAB9A
SCHEMBL17757024 0.84 SMN1; SMN2 (0.39) ACHEHTTLMNASMN1; SMN2RAB9A
SCHEMBL17757016 0.83 ACHE (0.36) ACHEHTTLMNASMN1; SMN2RAB9A
SCHEMBL17757798 0.83 ACAT2 (0.40) ACHESMN1; SMN2ACAT2TACR1MEN1
SCHEMBL17757204 0.82 ACAT2 (0.36) ACHEHTTLMNASMN1; SMN2RAB9A
SCHEMBL17757023 0.82 HTT (0.39) ACHEHTTLMNASMN1; SMN2RAB9A
SCHEMBL17757203 0.78 ACAT2 (0.38) ACHEHTTRAB9AHIF1AACAT2
SCHEMBL17757802 0.78 ACAT2 (0.43) ACHEHIF1AACAT2ALDH1A1MEN1
SCHEMBL17757217 0.78 TACR1 (0.37) RAB9AACAT2TACR1KDM4EMAPT

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 ACHE 4883/4885HTT 1986/4885LMNA 2101/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ACHE 4883/4885HTT 2259/4885LMNA 1655/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 ACHE 4883/4885HTT 2410/4885LMNA 1695/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ACHE 4883/4885HTT 2259/4885LMNA 1655/4885

“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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