SCHEMBL17758082

SCHEMBL17758082

CN(C)CC(=O)NC1CCC2(CC1)Nc1ccccc1N=C2NCc1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.41
▸ SIGMAR1 Q99720 5/20 0.39
▸ THRB P10828 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ OPRM1 P35372 1/20 0.37
▸ OPRL1 P41146 1/20 0.37
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMO Q99835 1/20 0.35
▸ P2RX7 Q99572 2/20 0.35
▸ CDC7 O00311 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ PAK4 O96013 1/20 0.34
▸ PIM1 P11309 1/20 0.34

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
SCHEMBL17758079 0.92 EPHX2 (0.37) EPHX2SIGMAR1THRBHPGDHTT
SCHEMBL17757429 0.91 EPHX2 (0.41) EPHX2SIGMAR1THRBHPGDCHRM1
SCHEMBL17757455 0.91 EPHX2 (0.39) EPHX2SIGMAR1THRBHPGDHTT
SCHEMBL17758077 0.89 EPHX2 (0.39) EPHX2SIGMAR1THRBHPGDCHRM1
SCHEMBL17757427 0.86 ACAT2 (0.37) MAPTALOX12KMT2ACDK9
SCHEMBL21982590 0.85 CARM1 (0.36) OPRM1OPRL1
SCHEMBL17757883 0.85 ACAT2 (0.36) MAPTKMT2ACDC7CDK9
SCHEMBL17758095 0.85 CCNT1 (0.33) HTTKMT2ACDK9
SCHEMBL17757474 0.85 MAOB (0.37) MAPTKMT2ACDK9
SCHEMBL17992046 0.85 BRD4 (0.41) THRBOPRM1CHRM3KMT2A

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 EPHX2 3396/4885SIGMAR1 360/4885THRB 793/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 EPHX2 3198/4885SIGMAR1 649/4885THRB 1117/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 EPHX2 3237/4885SIGMAR1 637/4885THRB 1085/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 EPHX2 3198/4885SIGMAR1 649/4885THRB 1117/4885

“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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