SCHEMBL320940

SCHEMBL320940

O=C(O)CCCNC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.58
ADRA1A P35348 1/20 0.54
LMNA P02545 3/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
PMP22 Q01453 1/20 0.50
ATM Q13315 1/20 0.48
PLA2G4A P47712 1/20 0.48
EPHX2 P34913 2/20 0.47
FABP4 P15090 1/20 0.47
MAPK1 P28482 1/20 0.47
CAMK2A Q9UQM7 1/20 0.46
HTT P42858 1/20 0.44
PLA2G2A P14555 1/20 0.44

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
SCHEMBL29916467 0.92 PRMT1 (0.70) PRMT1ADRA1ALMNASLC22A6TSHR
SCHEMBL17087514 0.90 PRMT1 (0.74) PRMT1ADRA1ALMNATSHRNFKB1
SCHEMBL29896407 0.90 PRMT1 (0.74) PRMT1ADRA1ALMNATSHRNFKB1
SCHEMBL6065930 0.90 PRMT1 (0.74) PRMT1ADRA1ALMNATSHRNFKB1
SCHEMBL29908844 0.90 PRMT1 (0.74) PRMT1ADRA1ALMNATSHRNFKB1
Valeric Acid SCHEMBL28493064 0.84 AKR1B1 (0.56) ADRA1ASLC22A6TSHRPLA2G4AEPHX2
SCHEMBL16478257 0.84 PRMT1 (0.65) PRMT1ADRA1ALMNATSHRNFKB1
SCHEMBL31475480 0.83 PRMT1 (0.81) PRMT1ADRA1ALMNASLC22A6TSHR
SCHEMBL501649 0.82
SCHEMBL8958360 0.82 KDM4E (0.43) PRMT1ADRA1AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20230212110-A1 CARBAMATE PRODUCTION METHOD, CARBAMATE ESTER PRODUCTION METHOD, AND UREA DERIVATIVE PRODUCTION METHOD NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2023-07-06 US disclosed
US-20220007684-A1 APPLICATION OF ACYLATED DERIVATIVE OF AMINO ACID IN PREPARATION OF ANIMAL FEED ADDITIVE Anipha Technologies Pty Ltd (AU) 2022-01-13 US 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
US-9714246-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) 2017-07-25 US disclosed
US-20160289226-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. 2016-10-06 US disclosed
US-20160289226-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. 2016-10-06 US disclosed
US-20130261178-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES MISTRY SHAILESH (GB) 2013-10-03 US disclosed
EP-2590937-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES The University Of Nottingham (GB) 2013-05-15 EP disclosed
WO-2012004549-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES THE UNIVERSITY OF NOTTINGHAM (GB) 2012-01-12 WO disclosed
EP-2094660-A2 IMMUNOCHEMICALLY EQUIVALENT HIV DRUG ANALOGS Roche Diagnostics GmbH (DE) 2009-09-02 EP disclosed
WO-2008052737-A2 IMMUNOCHEMICALLY EQUIVALENT HIV DRUG ANALOGS ROCHE DIAGNOSTICS GMBH (DE) 2008-05-08 WO disclosed
WO-2005016869-A1 NOVEL DENDRIMER COMPOUND, A BIOCHIP USING THE SAME AND A FABRICATING METHOD THEREOF POSTECH FOUNDATION (KR) 2005-02-24 WO disclosed
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 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 (6 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-20130261178-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES NR3C2, NPR3, ADRB3 PRMT1 2517/4885ADRA1A 100/4885LMNA 615/4885
US-20160289226-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 PRMT1 1587/4885ADRA1A 167/4885LMNA 3122/4885
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 PRMT1 1587/4885ADRA1A 167/4885LMNA 3122/4885
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 PRMT1 1587/4885ADRA1A 167/4885LMNA 3122/4885
US-20230212110-A1 CARBAMATE PRODUCTION METHOD, CARBAMATE ESTER PRODUCTION METHOD, AND UREA DERIVATIVE PRODUCTION METHOD CPS1, ATM, OAT PRMT1 54/4885ADRA1A 4780/4885LMNA 4448/4885
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 PRMT1 1587/4885ADRA1A 167/4885LMNA 3122/4885

“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.