SCHEMBL17757387

SCHEMBL17757387

Clc1ccccc1CCNC1=Nc2ccccc2NC12CCSCC2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 2/20 0.38
▸ GPR84 Q9NQS5 1/20 0.36
▸ TAAR1 Q96RJ0 2/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ CYP2A13 Q16696 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HIF1A Q16665 1/20 0.30

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
SCHEMBL17757555 0.94 ACAT2 (0.36) ACAT2GPR84TAAR1NPC1RAB9A
SCHEMBL16410834 0.89 ACAT2 (0.36) ACAT2GPR84TAAR1NPC1RAB9A
SCHEMBL17757594 0.89 PDE7A (0.38) ACAT2GPR84TAAR1NPC1RAB9A
SCHEMBL17758047 0.89 GAA (0.39) ACAT2NPC1RAB9AMEN1KMT2A
SCHEMBL17757303 0.88 ACAT2 (0.48) ACAT2GPR84TAAR1NPC1RAB9A
SCHEMBL17757034 0.87 GPR84 (0.36) ACAT2GPR84TAAR1NPC1RAB9A
SCHEMBL16410809 0.85 ACAT2 (0.35) ACAT2TAAR1CYP2A13
SCHEMBL17757411 0.85 ALDH1A1 (0.40) TAAR1NPC1RAB9AMEN1KMT2A
SCHEMBL17757382 0.85 ACAT2 (0.36) ACAT2NPC1RAB9ACYP2A13GAA
SCHEMBL17757503 0.84 ACAT2 (0.41) ACAT2GPR84TAAR1NPC1RAB9A

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 ACAT2 1935/4885GPR84 469/4885TAAR1 465/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ACAT2 1509/4885GPR84 362/4885TAAR1 878/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 ACAT2 1431/4885GPR84 379/4885TAAR1 896/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ACAT2 1509/4885GPR84 362/4885TAAR1 878/4885

“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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