SCHEMBL17757323

SCHEMBL17757323

CN(C)CCc1ccc2c(c1)NC1(CCNCC1)C(NCc1cccc(Cl)c1)=N2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.46
▸ ACAT2 Q9BWD1 1/20 0.41
▸ AOC3 Q16853 1/20 0.37
▸ MAOB P27338 2/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ SIGMAR1 Q99720 1/20 0.34
▸ CCNT1 O60563 2/20 0.33
▸ C3AR1 Q16581 1/20 0.32
▸ NOS3 P29474 3/20 0.32
▸ NOS1 P29475 3/20 0.32
▸ NOS2 P35228 3/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ WDR5 P61964 1/20 0.32
▸ BRD4 O60885 3/20 0.32
▸ HTR2C P28335 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
SCHEMBL17757783 0.94 TAAR1 (0.45) TAAR1ACAT2AOC3MAOBHTR6
SCHEMBL17757622 0.92 TAAR1 (0.46) TAAR1ACAT2AOC3MAOBHTR6
SCHEMBL17757414 0.91 TAAR1 (0.46) TAAR1ACAT2AOC3SIGMAR1C3AR1
SCHEMBL17758022 0.90 ACAT2 (0.41) TAAR1ACAT2AOC3MAOBHTR6
SCHEMBL17757074 0.90 TAAR1 (0.45) TAAR1ACAT2AOC3MAOBSIGMAR1
SCHEMBL17757306 0.87 ACAT2 (0.41) ACAT2MAOBHTR6CCNT1C3AR1
SCHEMBL17757776 0.86 ACAT2 (0.48) ACAT2MAOBHTR6CCNT1CDK9
SCHEMBL17757310 0.86 ACAT2 (0.43) ACAT2MAOBHTR6CCNT1CDK9
SCHEMBL17757913 0.85 TAAR1 (0.46) TAAR1AOC3SIGMAR1C3AR1NOS3
SCHEMBL17757489 0.85 ACAT2 (0.43) TAAR1ACAT2AOC3MAOBHTR6

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 TAAR1 465/4885ACAT2 1935/4885AOC3 2199/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 TAAR1 878/4885ACAT2 1509/4885AOC3 2960/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 TAAR1 896/4885ACAT2 1431/4885AOC3 2967/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 TAAR1 878/4885ACAT2 1509/4885AOC3 2960/4885

“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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