SCHEMBL29412971

SCHEMBL29412971

NCc1ccccc1OC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.47
GRIN1 Q05586 1/20 0.47
SLC6A3 Q01959 6/20 0.42
SLC6A2 P23975 6/20 0.42
SLC6A4 P31645 5/20 0.42
DRD2 P14416 4/20 0.42
CYP2D6 P10635 3/20 0.42
KCNH2 Q12809 3/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PNMT P11086 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
TACR1 P25103 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38

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
SCHEMBL40091 1.00 GRIN2B (0.47) GRIN2BGRIN1SLC6A3SLC6A2SLC6A4
SCHEMBL20472428 0.86 GRIN2B (0.43) GRIN2BGRIN1SLC6A3SLC6A2SLC6A4
SCHEMBL30580173 0.84 MPL (0.45) GRIN2BGRIN1SLC6A3SLC6A2SLC6A4
SCHEMBL1299443 0.84 TAAR1 (0.58) GRIN2BGRIN1SLC6A3SLC6A2SLC6A4
SCHEMBL2094155 0.84 PNMT (0.38) GRIN2BGRIN1SLC6A3SLC6A2SLC6A4
SCHEMBL4550818 0.84 MPL (0.45) GRIN2BGRIN1SLC6A3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL2715685 0.82 MPL (0.44) GRIN2BGRIN1SLC6A3SLC6A2SLC6A4
SCHEMBL27493207 0.82 GRIN2B (0.41) GRIN2BGRIN1SLC6A3SLC6A2SLC6A4
SCHEMBL2088592 0.81 TAAR1 (0.46) GRIN2BGRIN1SLC6A3SLC6A2SLC6A4
SCHEMBL1715651 0.80 IDO1 (0.58) GRIN2BGRIN1SLC6A3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250376457-A1 DICHLOROPHENOL HSD17B13 INHIBITORS AND USES THEREOF INIPHARM INC (US) 2025-12-11 US disclosed
WO-2025093589-A1 HETEROARYL AMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2025-05-08 WO disclosed
EP-4469451-A1 2-SUBSTITUTED THIAZOLE HSD17B13 INHIBITORS AND USES THEREOF Inipharm, Inc. (US) 2024-12-04 EP disclosed
CN-119032090-A 2-Substituted thiazole HSD17B13 inhibitors and uses thereof 伊尼制药公司 2024-11-26 CN disclosed
CN-118271234-A Piperidine derivative, composition and application thereof 上海京新生物医药有限公司 2024-07-02 CN disclosed
CN-118271197-A Cyclohexylamine derivative, and composition and application thereof 上海京新生物医药有限公司 2024-07-02 CN disclosed
CN-112673001-B Indazole carboxamides as kinase inhibitors 百时美施贵宝公司 2024-06-25 CN disclosed
CN-115135648-B Dihydronaphthyridones, preparation method and medical application thereof 劲方医药科技(上海)有限公司 2024-02-09 CN disclosed
CN-116670118-A Dichlorophenol HSD17B13 inhibitor and application thereof 伊尼制药公司 2023-08-29 CN disclosed
WO-2023146897-A1 2-SUBSTITUTED THIAZOLE HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. (US) 2023-08-03 WO disclosed
CN-111566103-B Aminoimidazopyrazines as kinase inhibitors 百时美施贵宝公司 2023-06-23 CN disclosed
CN-113508109-B Substituted heterocyclic amide compound, preparation method and medical application thereof 劲方医药科技(上海)有限公司 2023-02-10 CN disclosed
CN-115135648-A Dihydronaphthyridinone compounds, preparation method and medical application thereof 劲方医药科技(上海)有限公司 2022-09-30 CN disclosed
CN-110520423-B Aminotriazolopyridines as kinase inhibitors 百时美施贵宝公司 2022-08-23 CN disclosed
CN-114668761-A Novel ferroportin inhibitors 威佛(国际)股份公司 2022-06-28 CN disclosed
CN-112313234-B Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists 百济神州有限公司 2022-04-29 CN disclosed
CN-108290878-B Novel ferroportin inhibitors 威佛(国际)股份公司 2022-04-26 CN disclosed
WO-2022061155-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2022-03-24 WO 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-20250376457-A1 DICHLOROPHENOL HSD17B13 INHIBITORS AND USES THEREOF HSD17B1, HSD17B3, HSD17B13 GRIN2B 3479/4885GRIN1 4045/4885SLC6A3 1259/4885

“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.