SCHEMBL19523243

SCHEMBL19523243

CNC(=O)c1ccccc1CNC1=Nc2ccccc2NC12CCNCC2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ ACAT2 Q9BWD1 3/20 0.35
▸ HPGD P15428 3/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ MMP3 P08254 1/20 0.31
▸ MMP10 P09238 1/20 0.31
▸ GAA P10253 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ WDR5 P61964 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL19523283 0.91 ADRA1D (0.36) ADRA1DADRA1AADRA1BACAT2HPGD
SCHEMBL19523282 0.89 ADRA1D (0.35) ADRA1DADRA1AADRA1BHPGDLMNA
SCHEMBL19523238 0.89 KAT2B (0.35) ADRA1DADRA1AADRA1BHPGD
SCHEMBL17757302 0.89 HIF1A (0.39) ACAT2
SCHEMBL19523195 0.88 ADRA1D (0.39) ADRA1DADRA1AADRA1BACAT2CYP2D6
SCHEMBL19523199 0.88 HIF1A (0.41) ADRA1DADRA1AADRA1BACAT2OPRD1
SCHEMBL17992058 0.85 ACAT2 (0.36) ACAT2
SCHEMBL19523194 0.84 CYP2D6 (0.38) CYP2D6OPRD1OPRK1MMP3MMP10
SCHEMBL17757738 0.82 ACAT2 (0.38) ACAT2
SCHEMBL19523242 0.82 ACAT2 (0.35) ACAT2HPGDALDH1A1LMNA

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 ADRA1D 2423/4885ADRA1A 2437/4885ADRA1B 2415/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 ADRA1D 3345/4885ADRA1A 3544/4885ADRA1B 3400/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ADRA1D 3347/4885ADRA1A 3584/4885ADRA1B 3398/4885

“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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