SCHEMBL17757424

SCHEMBL17757424

CN1CCN(CC2CCC3(CC2)Nc2ccccc2N=C3NCc2cccc(Cl)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 3/20 0.40
▸ CDK9 P50750 2/20 0.40
▸ CHRM1 P11229 2/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ DRD4 P21917 2/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ HRH4 Q9H3N8 4/20 0.39
▸ DRD1 P21728 2/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ CARM1 Q86X55 2/20 0.36
▸ PRMT6 Q96LA8 2/20 0.36
▸ HTR3A P46098 2/20 0.36
▸ HTR3E A5X5Y0 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CACNA1F O60840 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL17757422 0.90 MAOB (0.40) CCNT1CDK9DRD2MAPTCHRM3
SCHEMBL17757882 0.90 PIK3CA (0.40) CCNT1CDK9MEN1LMNAPOLB
SCHEMBL17757448 0.90 HRH4 (0.40) CCNT1CDK9CHRM1DRD2DRD4
SCHEMBL17757746 0.88 HRH4 (0.42) CCNT1CDK9CHRM1DRD2DRD4
SCHEMBL17757033 0.86 CCNT1 (0.42) CCNT1CDK9CHRM1DRD2DRD4
SCHEMBL17757878 0.86 ACAT2 (0.37) CCNT1CDK9LMNAMAPTKMT2A
SCHEMBL17757007 0.85 CCNT1 (0.41) CCNT1CDK9CHRM1DRD2DRD4
SCHEMBL17757886 0.84 ACAT2 (0.42) CCNT1CDK9LMNAMAPTKMT2A
SCHEMBL17757014 0.84 HRH4 (0.39) CCNT1CDK9CHRM1DRD2DRD4
SCHEMBL17757883 0.84 ACAT2 (0.36) CCNT1CDK9LMNAMAPTHTR2C

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 3993/4885CHRM1 4798/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 CCNT1 4420/4885CDK9 2877/4885CHRM1 4741/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 CCNT1 4410/4885CDK9 2833/4885CHRM1 4742/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 CCNT1 4420/4885CDK9 2877/4885CHRM1 4741/4885

“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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