SCHEMBL1701604

SCHEMBL1701604

C[C@@H]1CN(CC(=O)O)C[C@H](C)O1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.43
EBP Q15125 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MAPK8 P45983 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDK1 Q15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL15447586 1.00 POLB (0.49) POLBMEN1KMT2AMAPTNPC1
SCHEMBL7289985 1.00 POLB (0.49) POLBMEN1KMT2AMAPTNPC1
SCHEMBL8406208 1.00 POLB (0.49) POLBMEN1KMT2AMAPTNPC1
SCHEMBL15438887 1.00 POLB (0.49) POLBMEN1KMT2AMAPTNPC1
Hydrochloric Acid SCHEMBL1374314 0.98 POLB (0.48) POLBMEN1KMT2AMAPTNPC1
Hydrochloric Acid SCHEMBL1375057 0.98 POLB (0.48) POLBMEN1KMT2AMAPTNPC1
Trifluoroacetic Acid SCHEMBL28864591 0.89 ALDH1A1 (0.45) POLBMEN1KMT2AMAPTNPC1
SCHEMBL8420259 0.83 POLB (0.45) POLBMEN1KMT2AMAPTNPC1
SCHEMBL6993906 0.83 POLB (0.45) POLBMEN1KMT2AMAPTNPC1
SCHEMBL8421466 0.83 POLB (0.45) POLBMEN1KMT2AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023247590-A1 TRIAZOLOPYRIDINE AND BENZOISOXAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-12-28 WO disclosed
EP-3253752-B1 [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2023-08-16 EP disclosed
CN-115244047-A Indazole derivative and application thereof in medicine 四川海思科制药有限公司 2022-10-25 CN disclosed
US-11053242-B2 [9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11BH-pyrido-[2,1-a]isoquinolin-2-yl]methanol and compounds, compositions and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2021-07-06 US disclosed
US-20200262834-A1 [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2020-08-20 US disclosed
US-9988382-B2 [9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido-[2,1-A]isoquinolin-2-yl]methanol and compounds, compositions and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2018-06-05 US disclosed
US-9988382-B2 [9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido-[2,1-A]isoquinolin-2-yl]methanol and compounds, compositions and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2018-06-05 US disclosed
US-20170349586-A1 [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2017-12-07 US disclosed
US-20170349586-A1 [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2017-12-07 US disclosed
EP-2670765-B1 C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO 4) LTD (GB) 2017-10-18 EP disclosed
US-20120088762-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2012-04-12 US disclosed
US-20120088762-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2012-04-12 US disclosed
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed
US-8080576-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2011-12-20 US disclosed
US-8080545-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2011-12-20 US disclosed
WO-2010102958-A1 4-OXADIAZOL-2 -YL- INDAZOLES AS INHIBITORS OF P13 KINASES GLAXO GROUP LIMITED (GB) 2010-09-16 WO disclosed
US-20100144649-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2010-06-10 US disclosed
US-20100144648-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2010-06-10 US disclosed
US-7691852-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2010-04-06 US disclosed
US-20070293465-A1 Compounds for enzyme inhibition PROTEOLIX, INC. (US) 2007-12-20 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 (7 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-20120088762-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 POLB 1070/4885MEN1 1704/4885KMT2A 365/4885
US-20170349586-A1 [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO SLC18A2, SLC6A2, SLC18A1 POLB 1862/4885MEN1 1984/4885KMT2A 683/4885
US-11053242-B2 [9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11BH-pyrido-[2,1-a]isoquinolin-2-yl]methanol and compounds, compositions and methods relating thereto SLC18A2, SLC6A2, SLC18A1 POLB 1862/4885MEN1 1984/4885KMT2A 683/4885
US-20070293465-A1 Compounds for enzyme inhibition PSME1, PSMB1, PSME3 POLB 1070/4885MEN1 1704/4885KMT2A 365/4885
US-20100144648-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 POLB 1070/4885MEN1 1704/4885KMT2A 365/4885
US-20200262834-A1 [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO SLC18A2, SLC6A2, SLC18A1 POLB 1862/4885MEN1 1984/4885KMT2A 683/4885
US-20100144649-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 POLB 1070/4885MEN1 1704/4885KMT2A 365/4885

“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.