SCHEMBL29416716

SCHEMBL29416716

O=Cc1cc(O[C@H]2CCOC2)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
EGFR P00533 3/20 0.39
GPER1 Q99527 1/20 0.37
GRM5 P41594 2/20 0.37
S1PR3 Q99500 1/20 0.37
APP P05067 1/20 0.37
ALK Q9UM73 1/20 0.36
PDE2A O00408 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PDE4D Q08499 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
FFAR1 O14842 1/20 0.35
LRRK2 Q5S007 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL26345001 1.00 ACACB (0.40) ACACBHRH3EGFRGPER1GRM5
SCHEMBL28703678 1.00 ACACB (0.40) ACACBHRH3EGFRGPER1GRM5
SCHEMBL26345034 1.00 ACACB (0.40) ACACBHRH3EGFRGPER1GRM5
SCHEMBL29416754 1.00 ACACB (0.40) ACACBHRH3EGFRGPER1GRM5
SCHEMBL24512640 0.92 APP (0.43) HRH3GPER1GRM5S1PR3APP
SCHEMBL6567753 0.81 PTGS1 (0.48) APPFFAR1FFAR4
SCHEMBL3726176 0.81 HRH3 (0.40) ACACBHRH3GRM5ALKPDE2A
SCHEMBL26343566 0.78 ACACB (0.42) ACACBHRH3EGFRGRM5S1PR3
SCHEMBL9227166 0.78 ACACB (0.40) ACACBHRH3EGFRGPER1GRM5
SCHEMBL26343437 0.78 ACACB (0.42) ACACBEGFRGPER1GRM5S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119638680-A Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-03-18 CN disclosed
CN-119638681-A Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-03-18 CN disclosed
CN-119638682-A Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-03-18 CN disclosed
CN-116323598-B Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-11-15 CN disclosed
US-20240010639-A1 TRIAZINE DIONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2024-01-11 US disclosed
CN-114149423-B Tetrahydropyridopyrimidinedione derivative, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2023-12-12 CN disclosed
EP-4249474-A1 TRIAZINE DIONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-09-27 EP disclosed
CN-116323598-A Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-06-23 CN disclosed
WO-2022105852-A1 TRIAZINE DIONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2022-05-27 WO disclosed
CN-114149423-A Tetrahydropyridopyrimidine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-03-08 CN 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-20240010639-A1 TRIAZINE DIONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE MYLK2, TNNT2, TNNC1 ACACB 4053/4885HRH3 4279/4885EGFR 4877/4885

“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.