SCHEMBL4332998

SCHEMBL4332998

FC(F)(F)c1ccc(OCCBr)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
NOS1 P29475 4/20 0.49
MAOB P27338 5/20 0.49
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
ALDH1A1 P00352 1/20 0.46
AOC3 Q16853 1/20 0.45
PPARA Q07869 1/20 0.43

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
SCHEMBL5317430 0.90 NOS1 (0.50) LTA4HNOS1MAOBCHRNB2CHRNB4
SCHEMBL7248303 0.88 NOS1 (0.51) LTA4HNOS1MAOBCHRNB2CHRNB4
SCHEMBL17233207 0.86 NOS1 (0.52) LTA4HNOS1MAOBCHRNB2CHRNB4
SCHEMBL31706291 0.86 NOS1 (0.52) LTA4HNOS1MAOBCHRNB2CHRNB4
SCHEMBL6750419 0.86 NOS1 (0.52) LTA4HNOS1MAOBCHRNB2CHRNB4
SCHEMBL4104367 0.86 NOS1 (0.52) LTA4HNOS1MAOBCHRNB2CHRNB4
SCHEMBL7152797 0.83 NOS1 (0.48) LTA4HNOS1MAOBPPARA
SCHEMBL7010616 0.83 ALDH1A1 (0.44) LTA4HNOS1ALDH1A1
SCHEMBL13725531 0.83 MAOB (0.52) LTA4HNOS1MAOBALDH1A1AOC3
SCHEMBL8140756 0.82 NPC1 (0.47) LTA4HALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233077-B1 DOPAMINE D2 RECEPTOR LIGANDS BROAD INST INC (US) 2026-05-06 EP disclosed
US-12428373-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2025-09-30 US disclosed
US-20240400579-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. 2024-12-05 US disclosed
EP-4436976-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION Genentech, Inc. (US) 2024-10-02 EP disclosed
CN-118510783-A Spiro modulators of cholesterol biosynthesis and their use for promoting remyelination 基因泰克公司 2024-08-16 CN disclosed
WO-2023097234-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 WO disclosed
WO-2023097234-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 WO disclosed
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-20040116708-A1 Insulin sensitizers; antidiabetic agents, antiinflammatory agents; inflammatory bowel disorders EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-06-17 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP disclosed
EP-1375484-A1 CARBOXYLIC ACIDS Eisai Co., Ltd. (JP) 2004-01-02 EP disclosed
US-20030212094-A1 Novel cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2003-11-13 US disclosed
EP-1260512-A1 NOVEL CYCLIC AMIDE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2002-11-27 EP disclosed
US-5147882-A Cardiovascular disorders KARL THOMAE GMBH (DE) 1992-09-15 US disclosed
EP-0450429-A1 Cyclophanes, process for their preparation and pharmaceuticals containing them Dr. Karl Thomae GmbH (DE) 1991-10-09 EP 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 (6 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 LTA4H 3452/4885NOS1 553/4885MAOB 2140/4885
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 LTA4H 2479/4885NOS1 4427/4885MAOB 331/4885
US-20240400579-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION MAG, NR1H2, PMP22 LTA4H 2461/4885NOS1 2316/4885MAOB 2751/4885
US-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 LTA4H 2676/4885NOS1 221/4885MAOB 2932/4885
US-12428373-B2 Dopamine D2 receptor ligands DRD2, SLC6A3, NTSR2 LTA4H 2479/4885NOS1 4427/4885MAOB 331/4885
US-20030212094-A1 Novel cyclic amide derivatives SIGMAR1, OPRM1, OPRD1 LTA4H 1436/4885NOS1 1302/4885MAOB 564/4885

“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.