Sugi Predict

Sugi Predict / Compounds / SCHEMBL21493489

SCHEMBL21493489

SCHEMBL21493489

CC1(C)OB(c2cc(F)c3c(c2)CCC(=O)N3)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.39
▸ ROCK1 Q13464 1/20 0.37
▸ LPL P06858 2/20 0.36
▸ LIPG Q9Y5X9 2/20 0.36
▸ CYP11B1 P15538 5/20 0.33
▸ CYP11B2 P19099 5/20 0.33
▸ CYP19A1 P11511 3/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ BACE1 P56817 3/20 0.31
▸ SRD5A1 P18405 3/20 0.31
▸ METAP2 P50579 1/20 0.31
▸ P2RX7 Q99572 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
SCHEMBL15288616 0.87 LIPG (0.40) ROCK1LPLLIPGBACE1
SCHEMBL21382167 0.84 CYP11B1 (0.35) LPLLIPGCYP11B1CYP11B2CYP19A1
SCHEMBL21493492 0.83 KIF11 (0.35) KIF11LPLLIPGCYP11B1CYP11B2
SCHEMBL20865747 0.80 LPL (0.37) ROCK1LPLLIPGP2RX7
SCHEMBL31430401 0.77 ROCK1 (0.35) ROCK1LPLLIPGBACE1
SCHEMBL22497768 0.77 ROCK1 (0.39) ROCK1LPLLIPGBACE1P2RX7
SCHEMBL20112979 0.77 ROCK1 (0.32) ROCK1
SCHEMBL25826937 0.75 ROCK1 (0.31) ROCK1
SCHEMBL422134 0.74 PDE3B (0.44) KIF11CYP11B1CYP11B2CYP1A2
SCHEMBL14778585 0.73 ROCK1 (0.38) ROCK1LPLLIPGCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3768675-B1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2026-04-01 — — EP disclosed
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2024-12-19 — — US 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
CN-111886233-B Triazolone derivatives or salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-01-02 — — CN disclosed
US-11780830-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-10-10 — — US 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
US-20210317110-A1 TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2021-10-14 — — 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-10995086-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2021-05-04 — — US disclosed
US-20200223827-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2020-07-16 — — US disclosed
US-20190322655-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2019-10-24 — — 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 (9 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-20190322655-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME SLC10A1, VAPB, VAT1 KIF11 2075/4885ROCK1 495/4885LPL 383/4885
US-11168073-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same VAPA, VAPB, SLC10A1 KIF11 2566/4885ROCK1 2330/4885LPL 361/4885
US-20210317110-A1 TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME SLC10A1, VAT1, LIPC KIF11 2239/4885ROCK1 514/4885LPL 354/4885
US-20230044255-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 KIF11 2566/4885ROCK1 2330/4885LPL 361/4885
US-11780830-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same SLC10A1, VAT1, LIPC KIF11 2239/4885ROCK1 514/4885LPL 354/4885
US-20200223827-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 KIF11 2566/4885ROCK1 2330/4885LPL 361/4885
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 KIF11 2566/4885ROCK1 2330/4885LPL 361/4885
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same VAPA, VAPB, SLC10A1 KIF11 2566/4885ROCK1 2330/4885LPL 361/4885
US-10995086-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same SLC10A1, VAT1, VAPB KIF11 2215/4885ROCK1 498/4885LPL 499/4885

“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.