SCHEMBL116221

SCHEMBL116221

CN(C)CCC(=O)c1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.53
THRB P10828 2/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
CTNNB1 P35222 4/20 0.51
WNT3A P56704 4/20 0.51
KMT2A Q03164 3/20 0.50
TAAR1 Q96RJ0 1/20 0.49
PARP1 P09874 1/20 0.49
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.48
HTT P42858 3/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
ALOX12 P18054 1/20 0.48
GSR P00390 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL29965467 1.00 THRA (0.53) THRATHRBCES2CES1CTNNB1
Hydrochloric Acid SCHEMBL6178469 0.98 THRA (0.52) THRATHRBCES2CES1CTNNB1
SCHEMBL9509517 0.88 THRA (0.60) THRATHRBKMT2AGSREGFR
SCHEMBL981942 0.86 CTNNB1 (0.48) THRATHRBCES2CES1CTNNB1
SCHEMBL1446829 0.84 GSR (0.50) THRATHRBCES2CES1KMT2A
SCHEMBL5954123 0.84 CTNNB1 (0.49) CES2CES1CTNNB1WNT3AKMT2A
SCHEMBL11271365 0.81 THRA (0.55) THRATHRBCTNNB1KMT2APARP1
SCHEMBL12391580 0.81 CTNNB1 (0.55) THRATHRBCTNNB1WNT3AKMT2A
SCHEMBL30317739 0.81 THRA (0.55) THRATHRBCTNNB1KMT2APARP1
SCHEMBL30701093 0.81 CTNNB1 (0.55) THRATHRBCTNNB1WNT3AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109069514-B Antibacterial compound and application thereof 结核病药物开发全球联盟公司 2023-12-29 CN disclosed
WO-2023107557-A1 COMPOUNDS AND COMPOSITIONS THAT INHIBIT PIKFYVE Kineta, Inc. (US) 2023-06-15 WO disclosed
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators BIOSPLICE THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators BIOSPLICE THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
EP-4148053-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF The Global Alliance for TB Drug Development, Inc. (US) 2023-03-15 EP disclosed
US-20230053726-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2023-02-23 US disclosed
EP-3426255-B1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2022-11-30 EP disclosed
US-11034682-B2 Gamma-diketones as wnt/β-catenin signaling pathway activators SAMUMED, LLC (US) 2021-06-15 US disclosed
US-10981891-B2 Antibacterial compounds and uses thereof THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2021-04-20 US disclosed
US-20200223834-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS MED-PATHWAYS II LIMITED (VG) 2020-07-16 US disclosed
WO-2008068266-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 WO disclosed
EP-1713776-B1 QUINOLINE DERIVATIVES FOR USE AS MYCOBACTERIAL INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-05-14 EP disclosed
US-20070299106-A1 NOVEL MYCOBACTERIAL INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-12-27 US disclosed
US-20070299106-A1 NOVEL MYCOBACTERIAL INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-12-27 US disclosed
WO-2007014941-A2 QUINOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-08 WO disclosed
US-20060058374-A1 Urotensin II receptor agents ACADIA PHARMACEUTICALS INC. 2006-03-16 US disclosed
EP-1527050-A1 QUINOLINE DERIVATIVES AND THEIR USE AS MYCOBACTERIAL INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-04 EP disclosed
US-20040077529-A1 Urotensin II receptor agents ACADIA PHARMACEUTICALS, INC. 2004-04-22 US disclosed
WO-2004011436-A1 QUINOLINE DERIVATIVES AND THEIR USE AS MYCOBACTERIAL INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2004-02-05 WO disclosed
WO-2003104216-A1 UROTENSIN II RECEPTOR MODULATORS ACADIA PHARMACEUTICALS INC. (US) 2003-12-18 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 (8 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-20200223834-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 THRA 281/4885THRB 319/4885CES2 4753/4885
US-20040077529-A1 Urotensin II receptor agents UTS2R, PLAUR, GPR17 THRA 663/4885THRB 835/4885CES2 1611/4885
US-20070299106-A1 NOVEL MYCOBACTERIAL INHIBITORS NAT1, NQO2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 THRA 1206/4885THRB 873/4885CES2 1762/4885
US-10981891-B2 Antibacterial compounds and uses thereof CFTR, SQOR, NQO1 THRA 2629/4885THRB 2336/4885CES2 1907/4885
US-20060058374-A1 Urotensin II receptor agents UTS2R, PLAUR, SCTR THRA 650/4885THRB 751/4885CES2 1700/4885
US-20230053726-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 THRA 281/4885THRB 319/4885CES2 4753/4885
US-11034682-B2 Gamma-diketones as wnt/β-catenin signaling pathway activators GSK3A, GSK3B, WNT1 THRA 286/4885THRB 327/4885CES2 4768/4885
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators GSK3A, GSK3B, WNT1 THRA 378/4885THRB 401/4885CES2 4749/4885

“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.