SCHEMBL84582

SCHEMBL84582

CC(C)c1cnc2c(c1)OCCN2

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.50
FEN1 P39748 16/20 0.42
ALOX5AP P20292 16/20 0.42
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL20803906 0.91 GRM5 (0.42) GRM5FEN1ALOX5AP
SCHEMBL17427727 0.83 GRM5 (0.33) GRM5
SCHEMBL21603323 0.82 GRM5 (0.43) GRM5FEN1ALOX5AP
SCHEMBL21281707 0.80 GRM5 (0.36) GRM5FEN1ALOX5AP
SCHEMBL20803916 0.79 GRM5 (0.43) GRM5FEN1ALOX5APALDH1A1GAA
SCHEMBL30657929 0.78 GRM5 (0.54) GRM5FEN1ALOX5APALDH1A1GAA
SCHEMBL91447 0.78 GRM5 (0.54) GRM5FEN1ALOX5APALDH1A1GAA
SCHEMBL21605993 0.77 GRM5 (0.39) GRM5FEN1ALOX5AP
SCHEMBL12600954 0.75 NNMT (0.51) GRM5FEN1ALOX5AP
SCHEMBL10224636 0.75 NNMT (0.49) GRM5FEN1ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192717-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY CASE WESTERN RESERVE UNIVERSITY 2023-06-22 US disclosed
US-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
US-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-08-12 US disclosed
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US disclosed
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-25 US disclosed
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-06 US disclosed
US-10851119-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2020-12-01 US disclosed
US-20120165330-A1 QUINAZOLINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-06-28 US disclosed
US-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20110319411-A1 ISOINDOLINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTIS PHARMACEUTICALS, INC. (US) 2011-12-29 US disclosed
US-20110319411-A1 ISOINDOLINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTIS PHARMACEUTICALS, INC. (US) 2011-12-29 US disclosed
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-27 US disclosed
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-7485724-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-02-03 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 (15 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-10851119-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR GRM5 3038/4885FEN1 4841/4885ALOX5AP 4098/4885
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT6 GRM5 2007/4885FEN1 3120/4885ALOX5AP 2105/4885
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GRM5 2298/4885FEN1 3642/4885ALOX5AP 3290/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 GRM5 2177/4885FEN1 4514/4885ALOX5AP 1568/4885
US-20230192717-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY HPGD, GCDH, HPGDS GRM5 1364/4885FEN1 910/4885ALOX5AP 205/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 GRM5 2175/4885FEN1 4446/4885ALOX5AP 1682/4885
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 GRM5 1999/4885FEN1 2986/4885ALOX5AP 2230/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 GRM5 1941/4885FEN1 4263/4885ALOX5AP 1630/4885
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 GRM5 1025/4885FEN1 4656/4885ALOX5AP 1647/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS GRM5 3996/4885FEN1 1154/4885ALOX5AP 3868/4885
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV GRM5 1375/4885FEN1 4661/4885ALOX5AP 1403/4885
US-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, PPM1D GRM5 4249/4885FEN1 1581/4885ALOX5AP 3309/4885
US-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GRM5 1901/4885FEN1 3678/4885ALOX5AP 2515/4885
US-20120165330-A1 QUINAZOLINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 GRM5 2224/4885FEN1 3115/4885ALOX5AP 2832/4885
US-20110319411-A1 ISOINDOLINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GRM5 1685/4885FEN1 3588/4885ALOX5AP 3001/4885

“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.