SCHEMBL17757783

SCHEMBL17757783

CN(C)CCc1ccc2c(c1)N=C(NCc1cccc(Cl)c1)C1(CCNCC1)N2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.45
▸ ACAT2 Q9BWD1 1/20 0.41
▸ AOC3 Q16853 1/20 0.36
▸ MAOB P27338 2/20 0.35
▸ HTR6 P50406 2/20 0.35
▸ NOS3 P29474 5/20 0.33
▸ NOS1 P29475 5/20 0.33
▸ NOS2 P35228 5/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ CCNT1 O60563 2/20 0.33
▸ BRD4 O60885 3/20 0.33
▸ GRM4 Q14833 1/20 0.32
▸ C3AR1 Q16581 1/20 0.32
▸ EIF2AK1 Q9BQI3 1/20 0.32
▸ CDK9 P50750 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
SCHEMBL17757323 0.94 TAAR1 (0.46) TAAR1ACAT2AOC3MAOBHTR6
SCHEMBL17757913 0.92 TAAR1 (0.46) TAAR1AOC3NOS3NOS1NOS2
SCHEMBL17757576 0.91 TAAR1 (0.45) TAAR1ACAT2AOC3NOS3NOS1
SCHEMBL17757070 0.90 TAAR1 (0.44) TAAR1AOC3NOS3NOS1NOS2
SCHEMBL17758022 0.89 ACAT2 (0.41) TAAR1ACAT2AOC3MAOBHTR6
SCHEMBL17757793 0.88 ACAT2 (0.41) ACAT2MAOBHTR6NOS3NOS1
SCHEMBL17757780 0.87 ACAT2 (0.43) ACAT2MAOBHTR6CCNT1GRM4
SCHEMBL17757321 0.87 ACAT2 (0.47) ACAT2MAOBHTR6CCNT1GRM4
SCHEMBL17757622 0.85 TAAR1 (0.46) TAAR1ACAT2AOC3MAOBHTR6
SCHEMBL17757414 0.85 TAAR1 (0.46) TAAR1ACAT2AOC3NOS3NOS1

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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