SCHEMBL7899079

SCHEMBL7899079

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.56
CTNNB1 P35222 1/20 0.54
WNT3A P56704 1/20 0.54
ALDH1A1 P00352 2/20 0.54
THRA P10827 2/20 0.50
THRB P10828 2/20 0.50
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
ACHE P22303 1/20 0.49
GSR P00390 2/20 0.48
SRD5A2 P31213 1/20 0.48
KMT2A Q03164 3/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
Hydrochloric Acid SCHEMBL4420249 0.98 CES2 (0.54) CES2CTNNB1WNT3AALDH1A1THRA
SCHEMBL18599158 0.91 ALDH1A1 (0.55) CES2CTNNB1WNT3AALDH1A1THRA
SCHEMBL9509517 0.84 THRA (0.60) THRATHRBGSRKMT2A
SCHEMBL4508253 0.83 CES2 (0.61) CES2CTNNB1WNT3AALDH1A1POLB
SCHEMBL9468405 0.83 ALDH1A1 (0.61) CES2CTNNB1WNT3AALDH1A1POLB
SCHEMBL3032732 0.81 CTNNB1 (0.60) CES2CTNNB1WNT3AALDH1A1POLB
SCHEMBL31557727 0.81 CES2 (0.62) CES2CTNNB1WNT3AALDH1A1POLB
SCHEMBL15969571 0.81 GSR (0.57) CES2ALDH1A1THRATHRBGSR
SCHEMBL12448343 0.80 CES2 (0.57) CES2CTNNB1WNT3AALDH1A1POLB
SCHEMBL17134152 0.80 HDAC3 (0.60) CES2CTNNB1WNT3AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators BIOSPLICE THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-20230053726-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2023-02-23 US disclosed
US-20230053726-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2023-02-23 US disclosed
US-11034682-B2 Gamma-diketones as wnt/β-catenin signaling pathway activators SAMUMED, LLC (US) 2021-06-15 US disclosed
US-20200223834-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS MED-PATHWAYS II LIMITED (VG) 2020-07-16 US disclosed
US-10457672-B2 γ-diketones as Wnt/β-catenin signaling pathway activators SAMUMED, LLC (US) 2019-10-29 US disclosed
US-20190055227-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS VICKERS VENTURE FUND VI PTE. LTD. (SG) 2019-02-21 US disclosed
US-9951053-B2 γ-diketones as Wnt/β-catenin signaling pathway activators SAMUMED, LLC (US) 2018-04-24 US disclosed
US-9533976-B2 γ-diketones as WNT/β-catenin signaling pathway activators SAMUMED, LLC (US) 2017-01-03 US disclosed
US-9522869-B2 Process for preparing Cinacalcet hydrochloride ZACH SYSTEM S.P.A. (IT) 2016-12-20 US disclosed
EP-2968249-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS Samumed, LLC (US) 2016-01-20 EP disclosed
US-20140296574-A1 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2014-10-02 US disclosed
WO-2014130869-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS SAMUMED, LLC (US) 2014-08-28 WO disclosed
WO-2014130869-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS SAMUMED, LLC (US) 2014-08-28 WO disclosed
US-20110306794-A1 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE ZACH SYSTEM S.P.A. (IT) 2011-12-15 US disclosed
US-20110207965-A1 PROCESS FOR PREPARING CINACALCET ZACH SYSTEM S.P.A. (IT) 2011-08-25 US disclosed
WO-2010094674-A2 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE ZACH SYSTEM S.P.A. (IT) 2010-08-26 WO disclosed
WO-2010049293-A2 PROCESS FOR PREPARING CINACALCET ZACH SYSTEM S.P.A. (IT) 2010-05-06 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 (9 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 CES2 4753/4885CTNNB1 6/4885WNT3A 4/4885
US-20190055227-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 CES2 4753/4885CTNNB1 6/4885WNT3A 4/4885
US-20140296574-A1 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE SLC5A1, CA9, REN CES2 704/4885CTNNB1 280/4885WNT3A 1771/4885
US-20110207965-A1 PROCESS FOR PREPARING CINACALCET VIP, KRAS, C9 CES2 936/4885CTNNB1 271/4885WNT3A 1507/4885
US-10457672-B2 γ-diketones as Wnt/β-catenin signaling pathway activators GSK3A, GSK3B, WNT1 CES2 4749/4885CTNNB1 5/4885WNT3A 4/4885
US-20230053726-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 CES2 4753/4885CTNNB1 6/4885WNT3A 4/4885
US-11034682-B2 Gamma-diketones as wnt/β-catenin signaling pathway activators GSK3A, GSK3B, WNT1 CES2 4768/4885CTNNB1 6/4885WNT3A 4/4885
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators GSK3A, GSK3B, WNT1 CES2 4749/4885CTNNB1 5/4885WNT3A 4/4885
US-20110306794-A1 PROCESS FOR PREPARING CINACALCET HYDROCHLORIDE SLC5A1, CA9, REN CES2 704/4885CTNNB1 280/4885WNT3A 1771/4885

“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.