SCHEMBL19934619

SCHEMBL19934619

FC(F)CCN1CCC2(CC1)Nc1ccccc1N=C2NCc1cccc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 1/20 0.35
▸ CCR5 P51681 3/20 0.34
▸ MAOB P27338 3/20 0.33
▸ HTR6 P50406 3/20 0.33
▸ CARM1 Q86X55 2/20 0.33
▸ PRMT6 Q96LA8 2/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ CHRM2 P08172 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ KCNN3 Q9UGI6 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 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
SCHEMBL17757189 0.91 ACAT2 (0.36) ACAT2MAOBHTR6ACHEBACE1
SCHEMBL17757190 0.90 MAOB (0.36) ACAT2MAOBHTR6CARM1PRMT6
SCHEMBL17757762 0.88 ACAT2 (0.36) ACAT2MAOBHTR6CARM1PRMT6
SCHEMBL17757740 0.86 ACAT2 (0.37) ACAT2MAOBHTR6CARM1PRMT6
SCHEMBL17757746 0.86 HRH4 (0.42) ACAT2MAOBHTR6HRH4CHRM2
SCHEMBL17992047 0.86 BRD4 (0.42) ACAT2CCR5CARM1PRMT6SIGMAR1
SCHEMBL17757187 0.86 ACHE (0.36) ACAT2MAOBHTR6CARM1PRMT6
SCHEMBL17757188 0.85 FABP4 (0.36) ACAT2MAOBHTR6HRH4ACHE
SCHEMBL17757475 0.84 ACAT2 (0.43) ACAT2MAOBHTR6LMNAMAPT
SCHEMBL17758032 0.84 ACAT2 (0.39) ACAT2MAOBHTR6HRH4LMNA

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 ACAT2 1431/4885CCR5 2684/4885MAOB 2832/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ACAT2 1509/4885CCR5 2728/4885MAOB 2833/4885

“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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