SCHEMBL22206482

SCHEMBL22206482

CC(C)(C)OC(=O)NCC(Cn1ncn(Cc2ccc(Br)cc2)c1=O)=C(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ PPARD Q03181 3/20 0.34
▸ PPARA Q07869 3/20 0.34
▸ PPARG P37231 1/20 0.34
▸ FPR3 P25089 3/20 0.33
▸ FPR2 P25090 3/20 0.33
▸ PKM P14618 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ NCOR2 Q9Y618 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
SCHEMBL22206471 0.89 CTSB (0.39) HDAC10HDAC6CTSSCTSKHDAC3
SCHEMBL30947326 0.89 CTSB (0.39) HDAC10HDAC6CTSSCTSKHDAC3
SCHEMBL22206397 0.85 CTSS (0.37) HDAC10HDAC6CTSSCTSKGAA
SCHEMBL29267546 0.85 AVPR1A (0.32) HDAC6HDAC8
SCHEMBL30947307 0.85 CTSS (0.37) HDAC10HDAC6CTSSCTSKGAA
SCHEMBL22206438 0.85 HDAC1 (0.39) NPFFR1NPFFR2PTGDR2
SCHEMBL29267572 0.84 AVPR1A (0.30) —
SCHEMBL30947277 0.83 MAPT (0.32) SMN1; SMN2EGFRRAF1KDRMAP2K2
SCHEMBL30947131 0.83 AKR1B1 (0.37) SMN1; SMN2LMNAEGFRRAF1KDR
SCHEMBL22206414 0.83 AKR1B1 (0.37) SMN1; SMN2LMNAEGFRRAF1KDR

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
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2024-12-19 — — US disclosed
CN-118894816-A 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same 柳韩洋行 2024-11-05 — — CN disclosed
CN-113330001-B 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same 柳韩洋行 2024-07-02 — — CN disclosed
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-08-01 — — US disclosed
US-20230044255-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2023-02-09 — — US disclosed
US-11168073-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2021-11-09 — — US disclosed
CN-113330001-A 3, 3-difluoroallylamine or salt thereof and pharmaceutical composition containing same 柳韩洋行 2021-08-31 — — CN disclosed
US-20200223827-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2020-07-16 — — 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 (5 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-11168073-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same VAPA, VAPB, SLC10A1 HDAC10 524/4885HDAC6 904/4885CTSS 1413/4885
US-20230044255-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 HDAC10 524/4885HDAC6 904/4885CTSS 1413/4885
US-20200223827-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 HDAC10 524/4885HDAC6 904/4885CTSS 1413/4885
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 HDAC10 524/4885HDAC6 904/4885CTSS 1413/4885
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same VAPA, VAPB, SLC10A1 HDAC10 524/4885HDAC6 904/4885CTSS 1413/4885

“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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