SCHEMBL17757519

SCHEMBL17757519

Cc1cccc(CNC2=Nc3cc(Cl)c(Cl)cc3NC23CCNCC3)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ CYP1A2 P05177 5/20 0.36
▸ CYP3A4 P08684 4/20 0.36
▸ CYP2D6 P10635 4/20 0.36
▸ CYP2C19 P33261 4/20 0.36
▸ TSHR P16473 3/20 0.36
▸ CLK4 Q9HAZ1 3/20 0.36
▸ ACAT2 Q9BWD1 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ KCNN3 Q9UGI6 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ BRD9 Q9H8M2 1/20 0.35
▸ CXCR4 P61073 2/20 0.32
▸ GUSB P08236 1/20 0.32
▸ APP P05067 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL17758109 0.91 CYP1A2 (0.39) CTSSCTSKCYP1A2CYP3A4CYP2D6
SCHEMBL17758102 0.91 CYP1A2 (0.39) CTSSCTSKCYP1A2CYP3A4CYP2D6
SCHEMBL17758027 0.90 ACAT2 (0.47) ACAT2P2RX7APP
SCHEMBL17757803 0.90 CTSS (0.40) CTSBCTSSCTSKCYP1A2CYP3A4
SCHEMBL17758090 0.89 KCNN3 (0.36) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL17757207 0.88 ACAT2 (0.39) CYP1A2CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL17757294 0.86 CTSB (0.39) CTSBCTSSCTSKCYP1A2CYP3A4
SCHEMBL17757011 0.86 PRMT5 (0.40) CYP3A4CYP2D6CYP2C19CLK4ACAT2
SCHEMBL17757045 0.85 TACR1 (0.38) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL17757806 0.84 ACAT2 (0.37) CYP2D6ACAT2CXCR4

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 CTSB 2127/4885CTSS 1688/4885CTSK 2184/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 CTSB 1951/4885CTSS 2066/4885CTSK 2195/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 CTSB 1995/4885CTSS 2152/4885CTSK 2260/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 CTSB 1951/4885CTSS 2066/4885CTSK 2195/4885

“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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