SCHEMBL812047

SCHEMBL812047

CCN(CC)C(F)(F)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
KCNN4 O15554 3/20 0.40
SIGMAR1 Q99720 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPY2R P49146 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
PTPN1 P18031 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RORC P51449 1/20 0.35
MAPK1 P28482 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34

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
SCHEMBL812265 0.88 KIF11 (0.52) ALDH1A1CYP2C9TAAR1NR1H2NR1H3
SCHEMBL812665 0.80 TSHR (0.41) TSHRRORCCA1CA2CA5A
SCHEMBL5891888 0.79 BCL2 (0.37) ALDH1A1MEN1KMT2ANR1H2NR1H3
SCHEMBL3213108 0.78 MEN1 (0.40) TSHRMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL295494 0.78 LMNA (0.40) MEN1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL1337600 0.77 PTPN1 (0.46) SIGMAR1CYP2D6PTPN1
SCHEMBL3213096 0.77 KCNA5 (0.46) NR1H2NR1H3KDM4E
SCHEMBL10745740 0.76 KCNN4 (0.54) ALDH1A1TSHRKCNN4SIGMAR1MEN1
SCHEMBL3049242 0.76 KCNN4 (0.43) ALDH1A1TSHRKCNN4SIGMAR1MEN1
SCHEMBL1338196 0.75 CA12 (0.42) ALDH1A1MEN1KMT2AMAPK1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3251674-A2 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES BioCryst Pharmaceuticals, Inc. (US) 2017-12-06 EP disclosed
US-20170267681-A1 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES MIDCAP FINANCIAL TRUST, AS AGENT 2017-09-21 US disclosed
EP-2243769-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE FLUOROAMINE CENTRAL GLASS CO LTD (JP) 2017-06-28 EP disclosed
US-20150291596-A1 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES BIOCRYST PHARMACEUTICALS, INC. 2015-10-15 US disclosed
US-8203003-B2 4-fluoropyrrolidine-2-carbonyl fluoride compounds and their preparative methods UBE INDUSTRIES, LTD. (JP) 2012-06-19 US disclosed
US-8063205-B2 Method for producing 2-oxazoline analogue or 1,3-oxazine analogue NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2011-11-22 US disclosed
US-20110275833-A1 Novel 4-Fluoropyrrolidine-2-Carbonyl Fluoride Compounds and Their Preparative Methods UBE INDUSTRIES, LTD. (JP) 2011-11-10 US disclosed
US-7968751-B2 Method of fluorination MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-06-28 US disclosed
US-7892518-B2 fluorinating a specific position of a saccharide substrate selectively without affecting a protective group at a temperature within a wide range safely and easily with N, N-diethyl-alpha, alpha-difluoro(3-methyl)benzylamine a fluorinating agent under irradiation with microwave or electromagnetic wave MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-02-22 US disclosed
WO-2010081014-A1 NOVEL 4-FLUOROPYRROLIDINE-2-CARBONYL FLUORIDE COMPOUNDS AND THEIR PREPARATIVE METHODS IM&T RESEARCH, INC. (US) 2010-07-15 WO disclosed
US-20100036119-A1 FLUORINATING REAGENTS AND THEIR PREPARATION LANXESS DEUTSCHLAND GMBH (DE) 2010-02-11 US disclosed
US-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-11-12 US disclosed
US-20080319228-A1 Method of fluorination HARA SHOJI 2008-12-25 US disclosed
EP-1956012-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE National University Corporation Hokkaido University (JP) 2008-08-13 EP disclosed
US-20080154064-A1 Method of fluorination HARA SHOJI 2008-06-26 US disclosed
US-7351863-B2 Method of fluorination MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-04-01 US disclosed
US-20060014972-A1 Method of fluorination MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-01-19 US disclosed
EP-1568703-A1 METHOD OF FLUORINATION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-08-31 EP disclosed
US-20050085474-A1 Fluorinating reagents and their preparation LANXESS DEUTSCHLAND GMBH (DE) 2005-04-21 US disclosed
EP-1437342-A2 Fluorinating reactants and process for their preparation Bayer Chemicals AG (DE) 2004-07-14 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 (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-20110275833-A1 Novel 4-Fluoropyrrolidine-2-Carbonyl Fluoride Compounds and Their Preparative Methods PFAS, AFF4, PAICS ALDH1A1 916/4885TSHR 2379/4885KCNN4 165/4885
US-20080154064-A1 Method of fluorination FUCA2, FABP2, FGB ALDH1A1 1770/4885TSHR 2253/4885KCNN4 1487/4885
US-20150291596-A1 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES RNGTT, DUT, RNMT ALDH1A1 2817/4885TSHR 4358/4885KCNN4 3720/4885
US-20050085474-A1 Fluorinating reagents and their preparation FLNA, ARFGEF1, FLNB ALDH1A1 362/4885TSHR 1608/4885KCNN4 4717/4885
US-20080319228-A1 Method of fluorination FUCA2, FABP2, FGB ALDH1A1 1770/4885TSHR 2253/4885KCNN4 1487/4885
US-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE OXA1L, SULT1A1, DAO ALDH1A1 41/4885TSHR 1049/4885KCNN4 3579/4885
US-20170267681-A1 ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES RNGTT, DUT, RNMT ALDH1A1 2817/4885TSHR 4358/4885KCNN4 3720/4885
US-20060014972-A1 Method of fluorination FUCA2, FABP2, FGB ALDH1A1 1770/4885TSHR 2253/4885KCNN4 1487/4885
US-20100036119-A1 FLUORINATING REAGENTS AND THEIR PREPARATION FLNA, ARFGEF1, FLNB ALDH1A1 362/4885TSHR 1608/4885KCNN4 4717/4885

“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.