SCHEMBL17757268

SCHEMBL17757268

CN1CCC2(CC1)Nc1ccccc1N(N(C)C)/C2=N/Cc1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 1/20 0.46
▸ SIGMAR1 Q99720 2/20 0.36
▸ AMPD2 Q01433 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ ACHE P22303 4/20 0.32
▸ SCN5A Q14524 2/20 0.32
▸ SCN9A Q15858 2/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL21982460 0.81 ACAT2 (0.43) ACAT2SIGMAR1AMPD2HTR6HDAC1
SCHEMBL17757949 0.79 ACAT2 (0.43) ACAT2SIGMAR1AMPD2HTR6SCN5A
SCHEMBL17757272 0.79 ACAT2 (0.50) ACAT2SIGMAR1AMPD2SMN1; SMN2KMT2A
SCHEMBL17757961 0.77 ACAT2 (0.39) ACAT2SIGMAR1SMN1; SMN2HTR6ACHE
SCHEMBL17757974 0.77 ACAT2 (0.42) ACAT2SIGMAR1AMPD2L3MBTL1HTR6
SCHEMBL17757966 0.75 ACAT2 (0.39) ACAT2SIGMAR1HRH4
SCHEMBL17757988 0.75 ACAT2 (0.39) ACAT2SIGMAR1HRH4
SCHEMBL17757960 0.74 ACAT2 (0.39) ACAT2SIGMAR1SCN5ASCN9AHRH4
SCHEMBL17757946 0.73 SMN1; SMN2 (0.37) ACAT2SMN1; SMN2KMT2A
SCHEMBL17757269 0.72 ACAT2 (0.56) ACAT2AMPD2NPC1RAB9ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (1 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 1935/4885SIGMAR1 360/4885AMPD2 3495/4885

“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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