SCHEMBL5847102

SCHEMBL5847102

CC(C)CC(=O)c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.53
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
GRM2 Q14416 3/20 0.50
GAA P10253 1/20 0.48
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 1/20 0.48
CTNNB1 P35222 2/20 0.46
WNT3A P56704 2/20 0.46
KMT2A Q03164 3/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
DPP4 P27487 1/20 0.44
MEN1 O00255 2/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL9431766 0.85 PTPN1 (0.50) PTPN1ERCC5FEN1CES2CES1
SCHEMBL27203850 0.85 PTPN1 (0.50) PTPN1ERCC5FEN1CES2CES1
SCHEMBL31746082 0.82 PTPN1 (0.47) PTPN1ERCC5FEN1CES2CES1
SCHEMBL30767488 0.81 PTPN1 (0.58) PTPN1ERCC5FEN1CES2CES1
SCHEMBL4115161 0.79 GRM2 (0.46) GRM2HPGD
SCHEMBL27925176 0.78 FFAR1 (0.48) GAAALDH1A1KMT2AHPGDMEN1
SCHEMBL8635130 0.78 ALDH1A1 (0.44) GRM2ALDH1A1HPGDTDP1TSHR
SCHEMBL13647199 0.78 ERCC5 (0.55) ERCC5FEN1GRM2ALDH1A1CTNNB1
SCHEMBL13257558 0.78 ALDH1A1 (0.56) GRM2ALDH1A1ALOX15HPGDTDP1
SCHEMBL30036725 0.78 PTPN1 (0.58) PTPN1ERCC5FEN1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
US-11040028-B2 Penicinotam derivative, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-06-22 US disclosed
US-20180133198-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-17 US disclosed
US-9901572-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 US disclosed
US-20170216263-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-03 US disclosed
US-9663466-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed
CN-105646453-A Synthesis method of 5-(2-fluorophenyl)-N-methyl-1-(3-pyridyl sulfonyl)-1H-pyrrole-3-methanamine fumarate TAK438 寿光富康制药有限公司 2016-06-08 CN disclosed
CN-105524046-A Process for producing pyrrole compound TAKEDA PHARMACEUTICAL 2016-04-27 CN disclosed
CN-105503828-A Preparation method of fumarate of pyrrole derivatives BEIJING KANG LISHENG PHARMACEUTICAL TECH DEV CO LTD 2016-04-20 CN disclosed
US-20160031816-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-02-04 US disclosed
US-8791091-B2 Aryl dihydropyridinone and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-29 US disclosed
US-20130143843-A1 ARYL DIHYDROPYRIDINONE AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-06-06 US disclosed
CN-102942464-A Synthesis method of compound 1-(2-halogenophenyl)-3-methyl-butanone-1 UNIV NORTHWEST NORMAL 2013-02-27 CN disclosed
CN-102421753-A Process for preparing azole compounds TAKEDA PHARMACEUTICAL 2012-04-18 CN disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
US-7041830-B2 Process for preparing (RS) 3-methyl-1-(2-piperidinyl phenyl) butyl amine COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-05-09 US disclosed
US-20050119252-A1 Ligands of melanocortin receptors and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-06-02 US disclosed
WO-2005042516-A2 LIGANDS OF MELANOCORTIN RECEPTORS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2005-05-12 WO disclosed
US-20040192921-A1 Process for preparing (RS) 3-methyl-1-(2-piperidinyl phenyl) butyl amine COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2004-09-30 US 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-20040192921-A1 Process for preparing (RS) 3-methyl-1-(2-piperidinyl phenyl) butyl amine GPR119, GLP1R, IRS1 PTPN1 3797/4885ERCC5 4831/4885FEN1 1595/4885
US-20180133198-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 PTPN1 2463/4885ERCC5 4879/4885FEN1 4592/4885
US-20050119252-A1 Ligands of melanocortin receptors and compositions and methods related thereto MC3R, MC1R, MC4R PTPN1 672/4885ERCC5 3932/4885FEN1 4841/4885
US-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT PTPN1 2700/4885ERCC5 4822/4885FEN1 4312/4885
US-20130143843-A1 ARYL DIHYDROPYRIDINONE AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 PTPN1 2507/4885ERCC5 4876/4885FEN1 4598/4885
US-20170216263-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 PTPN1 2463/4885ERCC5 4879/4885FEN1 4592/4885
US-20160031816-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 PTPN1 2463/4885ERCC5 4879/4885FEN1 4592/4885
US-11040028-B2 Penicinotam derivative, preparation method and use thereof TPMT, MAPT, TLR4 PTPN1 241/4885ERCC5 3512/4885FEN1 1944/4885
US-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 PTPN1 903/4885ERCC5 4293/4885FEN1 3989/4885

“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.