SCHEMBL17757516

SCHEMBL17757516

CN1CCC2(CC1)Nc1cc(F)c(F)cc1N=C2NCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ HRH4 Q9H3N8 9/20 0.37
▸ HRH1 P35367 2/20 0.36
▸ HRH2 P25021 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ ACHE P22303 1/20 0.35
▸ PDE5A O76074 1/20 0.34
▸ HTR6 P50406 4/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTR3A P46098 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
SCHEMBL17757801 0.88 HRH4 (0.38) CCNT1CDK9HRH4HRH1HRH2
SCHEMBL17757502 0.87 CCNT1 (0.38) CCNT1CDK9HRH4HRH1HRH2
SCHEMBL17757646 0.87 KMT2A (0.37) CCNT1CDK9ACHEALDH1A1GAA
SCHEMBL17757512 0.86 ACAT2 (0.35) CCNT1CDK9ACHEALDH1A1GAA
SCHEMBL17757017 0.85 HRH4 (0.39) HRH4HRH1HRH2HRH3ACHE
SCHEMBL17758074 0.85 KDM4E (0.36) ACHEKDM4EALDH1A1GAATSHR
SCHEMBL21982511 0.78 HRH4 (0.42) CCNT1CDK9HRH4HTR6HTR2A
SCHEMBL17757659 0.78 CCNT1 (0.40) CCNT1CDK9HRH4KDM4EMAPK1
SCHEMBL17757205 0.77 DRD2 (0.40) HRH4HRH1HRH2HRH3HTR6
SCHEMBL17757746 0.77 HRH4 (0.42) CCNT1CDK9HRH4HRH1HRH2

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 CCNT1 4252/4885CDK9 3993/4885HRH4 3044/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 CCNT1 4420/4885CDK9 2877/4885HRH4 2901/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 CCNT1 4410/4885CDK9 2833/4885HRH4 2902/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 CCNT1 4420/4885CDK9 2877/4885HRH4 2901/4885

“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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