SCHEMBL19523239

SCHEMBL19523239

CN(C)C(=O)c1ccccc1CNC1=Nc2ccccc2NC12CCOCC2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ PIK3CB P42338 1/20 0.34
▸ POLB P06746 1/20 0.32
▸ CXCR2 P25025 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ CBLB Q13191 3/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL19523280 0.90 ADRA1D (0.38) ADRA1DADRA1AADRA1BPOLBCXCR2
SCHEMBL19523195 0.89 ADRA1D (0.39) ADRA1DADRA1AADRA1BPOLBCXCR2
SCHEMBL17757529 0.89 HIF1A (0.38) CBLBLMNAKMT2A
SCHEMBL19523221 0.88 ADRA1D (0.36) ADRA1DADRA1AADRA1BPOLBCXCR2
SCHEMBL19523238 0.88 KAT2B (0.35) ADRA1DADRA1AADRA1BPIK3CBP2RX7
SCHEMBL19523255 0.88 HIF1A (0.40) ADRA1DADRA1AADRA1BP2RX7LMNA
SCHEMBL19523186 0.85 PIK3CB (0.39) PIK3CBLMNATSHRCYP2C19KMT2A
SCHEMBL17992074 0.84 SLC6A2 (0.30) TSHR
SCHEMBL17992067 0.84 APP (0.32) P2RX7
SCHEMBL19523217 0.83 PIK3CB (0.40) PIK3CBLMNATSHRCYP2C19KMT2A

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.

Send feedback