SCHEMBL17758097

SCHEMBL17758097

COC1CCC2(CC1)Nc1ccccc1N=C2NCc1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.40
▸ MAOB P27338 3/20 0.38
▸ HTR6 P50406 2/20 0.38
▸ ACAT2 Q9BWD1 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ EIF2AK1 Q9BQI3 1/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ GRM4 Q14833 1/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PDE9A O76083 2/20 0.34
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33

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
SCHEMBL17758098 0.91 ACAT2 (0.36) ACAT2RXFP1KMT2AMAPK8EIF2AK1
SCHEMBL17757886 0.89 ACAT2 (0.42) ACAT2KMT2ACCNT1HTTNOS3
SCHEMBL17757450 0.89 CCNT1 (0.36) ACAT2RXFP1KMT2AMAPK8EIF2AK1
SCHEMBL17757879 0.88 ACAT2 (0.39) ACAT2KMT2ACCNT1GRM4HTT
SCHEMBL17757475 0.88 ACAT2 (0.43) MAOBHTR6ACAT2KMT2AMAPK8
SCHEMBL17757878 0.87 ACAT2 (0.37) ACAT2KMT2ACCNT1GRM4NOS3
SCHEMBL17757880 0.87 MAPT (0.38) ACAT2KMT2ACCNT1NOS3NOS1
SCHEMBL17757427 0.87 ACAT2 (0.37) MAOBHTR6ACAT2KMT2ACCNT1
SCHEMBL17758096 0.87 ACAT2 (0.41) MAOBHTR6ACAT2KMT2AHTT
SCHEMBL17757472 0.87 CCNT1 (0.40) ACAT2KMT2ACCNT1GRM4NOS3

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 DPP4 2110/4885MAOB 2633/4885HTR6 1352/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 DPP4 2757/4885MAOB 2833/4885HTR6 1384/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 DPP4 2822/4885MAOB 2832/4885HTR6 1381/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 DPP4 2757/4885MAOB 2833/4885HTR6 1384/4885

“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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