SCHEMBL21493552

SCHEMBL21493552

O=c1[nH]ncn1CCc1cccs1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNOT7 Q9UIV1 1/20 0.53
TDP1 Q9NUW8 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HRH3 Q9Y5N1 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 1/20 0.38
PLA2G7 Q13093 1/20 0.38
PDE2A O00408 1/20 0.37
GPR84 Q9NQS5 1/20 0.37

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
SCHEMBL21493557 0.77 KDM4E (0.39) CNOT7TDP1
SCHEMBL9570485 0.71 GPR84 (0.48) CNOT7TAAR1HRH3HSD17B10MAPT
SCHEMBL30693612 0.71 CNOT7 (0.43) CNOT7TAAR1HRH3HSD17B10MAPT
SCHEMBL8799962 0.71 TAAR1 (0.50) CNOT7TAAR1HRH3CNR1CNR2
SCHEMBL14678488 0.68 MGLL (0.52) CNOT7TAAR1HRH3HSD17B10MAPT
SCHEMBL7686144 0.68 CNOT7 (0.44) CNOT7TAAR1HRH3CNR1CNR2
SCHEMBL11152620 0.68 CNOT7 (0.44) CNOT7TAAR1HRH3CNR1CNR2
SCHEMBL30947152 0.68 CNOT7 (0.43) CNOT7TAAR1HRH3HSD17B10MAPT
SCHEMBL5426939 0.67 PDE2A (0.46) CNOT7TDP1HSD17B10PLA2G7PDE2A
SCHEMBL10928551 0.67 MAPT (0.46) CNOT7TAAR1HRH3HSD17B10MAPT

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 15 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-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
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
CN-111886233-A Novel triazolone derivative or salt thereof and pharmaceutical composition comprising the same 柳韩洋行 2020-11-03 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
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 CNOT7 3929/4885TDP1 415/4885TAAR1 558/4885
US-11168073-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same VAPA, VAPB, SLC10A1 CNOT7 4149/4885TDP1 1147/4885TAAR1 1167/4885
US-20210317110-A1 TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME SLC10A1, VAT1, LIPC CNOT7 3663/4885TDP1 399/4885TAAR1 912/4885
US-20230044255-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 CNOT7 4149/4885TDP1 1147/4885TAAR1 1167/4885
US-11780830-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same SLC10A1, VAT1, LIPC CNOT7 3663/4885TDP1 399/4885TAAR1 912/4885
US-20200223827-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 CNOT7 4149/4885TDP1 1147/4885TAAR1 1167/4885
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 CNOT7 4149/4885TDP1 1147/4885TAAR1 1167/4885
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same VAPA, VAPB, SLC10A1 CNOT7 4149/4885TDP1 1147/4885TAAR1 1167/4885
US-10995086-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same SLC10A1, VAT1, VAPB CNOT7 3580/4885TDP1 361/4885TAAR1 874/4885

“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.