SCHEMBL40091

SCHEMBL40091

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
SCHEMBL29412971 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 481 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3077380-B1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE SANOFI SA (FR) 2018-07-25 EP claimed
CN-105505128-B Near-infrared light response self-repairing coating and preparation method thereof 南京工业大学 2018-05-08 CN claimed
EP-2773644-B1 AZETIDINE COMPOUNDS, COMPOSITIONS AND THEIR USE AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE HOFFMANN LA ROCHE (CH) 2016-05-04 EP claimed
CN-105505128-A Near-infrared light response self-repairing coating and preparation method thereof NANJING UNIVERSITY OF TECHNOLOGY 2016-04-20 CN claimed
EP-1869038-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDIN-2-YLAMINE COMPOUNDS AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-07-08 EP claimed
EP-1155017-B1 [1,8] NAPHTHYRIDINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY SHIRE BIOCHEM INC (CA) 2003-01-15 EP claimed
EP-4105216-B1 DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF GENFLEET THERAPEUTICS SHANGHAI INC (CN) 2026-05-20 EP disclosed
EP-3364967-B1 FERROPORTIN INHIBITORS VIFOR INT AG (CH) 2026-05-20 EP disclosed
US-12617772-B2 Hydroxypyridine HSD17B13 inhibitors and uses thereof INIPHARM, INC. (US) 2026-05-05 US disclosed
EP-4725942-A1 COMPOUNDS ACTIVE ON CYCLIN D1 PATHWAY AND THEIR USE Sibylla Biotech S.p.A. (IT) 2026-04-15 EP disclosed
US-20250376457-A1 DICHLOROPHENOL HSD17B13 INHIBITORS AND USES THEREOF INIPHARM INC (US) 2025-12-11 US disclosed
EP-3365339-B1 NOVEL FERROPORTIN INHIBITORS VIFOR INT AG (CH) 2025-07-16 EP disclosed
WO-2025136129-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET PROTEIN KINASE C CAPTOR THERAPEUTICS S.A. (PL) 2025-06-26 WO disclosed
EP-1073633-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 2001-02-07 EP disclosed
WO-2000067755-A1 CYCLIC AMIDINES USEFUL AS NMDA NR2B ANTAGONISTS MERCK & CO., INC. (US) 2000-11-16 WO disclosed
WO-2000051611-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO disclosed
WO-1999057098-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 1999-11-11 WO disclosed
EP-0934257-A1 SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-08-11 EP disclosed
US-5750574-A ADMINISTERING TO REDUCE THE EFFECTS OF SMOOTH MUSCLE CONTRACTIONS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-12 US disclosed
WO-1998002413-A1 SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-01-22 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 (2 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
US-12617772-B2 Hydroxypyridine HSD17B13 inhibitors and uses thereof HSD11B1, HSD17B1, HSD3B1 GRIN2B 674/4885GRIN1 442/4885SLC6A3 1371/4885

“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.