SCHEMBL5509924

SCHEMBL5509924

CC(C)CC(CC(=O)O)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.50
CACNB3 P54284 1/20 0.50
CACNA1C Q13936 1/20 0.50
PGR P06401 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR2B P41595 1/20 0.50
CACNA2D2 Q9NY47 1/20 0.50
RNPEP Q9H4A4 1/20 0.41
SLC7A5 Q01650 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MME P08473 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 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
SCHEMBL5516291 1.00 CACNA2D1 (0.50) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL5972500 0.87 CACNA2D1 (0.52) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL5960145 0.84 SMN1; SMN2 (0.48) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL466233 0.81 CACNA2D1 (0.52) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL5917730 0.81 CACNA2D1 (0.52) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL15274763 0.81 CACNA2D1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6156416 0.80 CACNA2D1 (0.50) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL16115927 0.79 CACNA2D1 (0.45) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL8572798 0.79 SLC1A3 (0.52) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL15698302 0.78 CACNA2D1 (0.39) CACNA2D1CACNB3CACNA1CPGRADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580425-B2 Pyrido[3,4-b] indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-28 US disclosed
WO-2017027834-A1 MANGANESE-BASED CHELATE CONJUGATES FOR MOLECULAR MR IMAGING THE GENERAL HOSPITAL CORPORATION (US) 2017-02-16 WO disclosed
US-9434747-B2 Methods of treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-06 US disclosed
US-9433626-B2 Pyrido[4,3-B]indole and pyrido[3,4-B]indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-06 US disclosed
US-9271971-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-03-01 US disclosed
US-9211287-B2 Pyrido[4,3-b]indole and pyrido[3,4-b]indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-12-15 US disclosed
US-20150352087-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2015-12-10 US disclosed
US-9199996-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-12-01 US disclosed
US-20150335654-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2015-11-26 US disclosed
US-20150258075-A1 PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-09-17 US disclosed
US-20130184304-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-18 US disclosed
US-20130172320-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-04 US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. 2012-08-16 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-20110245272-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-10-06 US disclosed
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-09-29 US disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 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-20150258075-A1 PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]INDOLE DERIVATIVES AND METHODS OF USE HTR1B, HTR2B, HTR2A CACNA2D1 926/4885CACNB3 504/4885CACNA1C 636/4885
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 CACNA2D1 450/4885CACNB3 852/4885CACNA1C 696/4885
US-20130184304-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CACNA2D1 1074/4885CACNB3 495/4885CACNA1C 1037/4885
US-20110245272-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CACNA2D1 1074/4885CACNB3 495/4885CACNA1C 1037/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 CACNA2D1 681/4885CACNB3 739/4885CACNA1C 590/4885
US-20130172320-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR3B, HTR4, HTR2C CACNA2D1 809/4885CACNB3 217/4885CACNA1C 760/4885
US-20150352087-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CACNA2D1 1090/4885CACNB3 504/4885CACNA1C 1057/4885
US-20150335654-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR3B, HTR4, HTR2C CACNA2D1 809/4885CACNB3 217/4885CACNA1C 760/4885
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CACNA2D1 1090/4885CACNB3 504/4885CACNA1C 1057/4885

“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.