SCHEMBL532105

SCHEMBL532105

FC(F)(F)c1cc(C2CO2)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.40
TSHR P16473 1/20 0.39
HTR2B P41595 2/20 0.39
CHRM2 P08172 1/20 0.39
DRD3 P35462 1/20 0.39
TACR1 P25103 5/20 0.38
CES2 O00748 1/20 0.37
NOTUM Q6P988 1/20 0.36
HTR2C P28335 5/20 0.35
HTR2A P28223 1/20 0.35
FFAR1 O14842 1/20 0.35
ADRB1 P08588 1/20 0.34
IDO1 P14902 1/20 0.33

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
SCHEMBL6494759 1.00 HTR1A (0.40) HTR1ATSHRHTR2BCHRM2DRD3
SCHEMBL7787372 0.88 FFAR1 (0.45) HTR1ATSHRHTR2BCHRM2DRD3
SCHEMBL7786250 0.86 HTR1A (0.38) HTR1ATSHRHTR2BCHRM2DRD3
SCHEMBL7786047 0.86 HTR1A (0.39) HTR1ATSHRHTR2BCHRM2DRD3
SCHEMBL7784381 0.86 HTR1A (0.36) HTR1ATSHRHTR2BCHRM2DRD3
SCHEMBL7786456 0.82 KDM1A (0.40) HTR1AHTR2BCHRM2DRD3
SCHEMBL27478190 0.81 HTR1A (0.44) HTR1AHTR2BCHRM2DRD3TACR1
SCHEMBL6541552 0.79 HTR1A (0.62) HTR1ATSHRHTR2BCHRM2DRD3
SCHEMBL6492774 0.79 HTR1A (0.62) HTR1ATSHRHTR2BCHRM2DRD3
SCHEMBL25831748 0.79 HTR1A (0.62) HTR1ATSHRHTR2BCHRM2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11710854-B2 Functional epoxides in catalyst-based electrolyte compositions for Li-ion batteries ENEVATE CORPORATION (US) 2023-07-25 US disclosed
WO-2022093797-A1 FUNCTIONAL EPOXIDES IN CATALYST-BASED ELECTROLYTE COMPOSITIONS FOR LI-ION BATTERIES ENEVATE CORPORATION (US) 2022-05-05 WO disclosed
US-20220140392-A1 FUNCTIONAL EPOXIDES IN CATALYST-BASED ELECTROLYTE COMPOSITIONS FOR LI-ION BATTERIES ENEVATE CORPORATION 2022-05-05 US disclosed
US-20160075724-A1 CETP Inhibitors MERCK SHARP & DOHME (US) 2016-03-17 US disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 US disclosed
EP-1765793-B1 ANACETRAPIB AND OTHER CETP INHIBITPRS MERCK SHARP & DOHME (US) 2012-09-26 EP disclosed
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 EP disclosed
US-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 US disclosed
US-7652049-B2 1-benzyl-4-[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]imidazolidin-2-one; cholesteryl ester transfer protein inhibitor; raising HDL-cholesterol, reducing LDL-cholesterol; atherosclerosis; antiinflammatory agent; synergistic mixture with other active ingredients MERCK & CO., INC. (US) 2010-01-26 US disclosed
US-20030149022-A1 Deoxyamino acid compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds AUDIA JAMES E (US) 2003-08-07 US disclosed
US-6552013-B1 For therapy of Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2003-04-22 US disclosed
US-6458830-B1 THE COMPOUNDS ARE OF PARTICULAR USE IN THE TREATMENT OR PREVENTION OF DEPRESSION, ANXIETY, PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTHERPETIC NEURALGIA. MERCK SHARP & DOHME LTD. 2002-10-01 US disclosed
EP-1165540-A1 TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2002-01-02 EP disclosed
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
EP-1089977-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 2001-04-11 EP disclosed
WO-2000056727-A1 TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2000-09-28 WO disclosed
WO-1999067219-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 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 (4 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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP HTR1A 3040/4885TSHR 2302/4885HTR2B 1930/4885
US-20030149022-A1 Deoxyamino acid compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds APP, IAPP, BACE1 HTR1A 1494/4885TSHR 4674/4885HTR2B 1786/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP HTR1A 3040/4885TSHR 2302/4885HTR2B 1930/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP HTR1A 3040/4885TSHR 2302/4885HTR2B 1930/4885

“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.