SCHEMBL4544710

SCHEMBL4544710

CC(C)(C)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.54
PHGDH O43175 1/20 0.42
MGLL Q99685 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
ABCB1 P08183 2/20 0.38
SLC18A3 Q16572 1/20 0.37

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
SCHEMBL20256063 1.00 SIGMAR1 (0.54) SIGMAR1PHGDHMGLLMEN1KMT2A
SCHEMBL14155850 0.98 SIGMAR1 (0.51) SIGMAR1PHGDHMGLLMEN1KMT2A
SCHEMBL4440912 0.93 SIGMAR1 (0.47) SIGMAR1PHGDHMGLLMEN1KMT2A
SCHEMBL14944853 0.91 SIGMAR1 (0.47) SIGMAR1PHGDHMGLLMEN1KMT2A
SCHEMBL18053620 0.89 SIGMAR1 (0.45) SIGMAR1PHGDHMGLLMEN1KMT2A
SCHEMBL11916112 0.88 SIGMAR1 (0.42) SIGMAR1MEN1KMT2ANPSR1GAA
SCHEMBL117945 0.86 SIGMAR1 (0.41) SIGMAR1MEN1KMT2AGAATSHR
SCHEMBL18053619 0.84 SIGMAR1 (0.45) SIGMAR1PHGDHMGLL
SCHEMBL13792184 0.82 L3MBTL3 (0.42) SIGMAR1MEN1KMT2A
SCHEMBL1106432 0.82 L3MBTL3 (0.42) SIGMAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
US-20220220069-A1 COMPOUND USED AS SIRT6 SMALL-MOLECULE ALLOSTERIC ACTIVATOR AND PHARMACEUTICAL COMPOSITION THEREOF SHANGHAI JIAOTONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2022-07-14 US disclosed
US-10464919-B2 Tricyclic derivative compound, method for preparing same, and pharmaceutical composition comprising same JE IL PHARMACEUTICAL CO., LTD. (KR) 2019-11-05 US disclosed
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 US disclosed
US-20180223278-A1 Functionally-Modified Oligonucleotides And Subunits Thereof JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-08-09 US disclosed
US-20180162834-A1 Tricyclic Derivative Compound, Method for Preparing Same, and Pharmaceutical Composition Comprising Same ONCONIC THERAPEUTICS INC. (KR) 2018-06-14 US disclosed
US-9975879-B2 Beta lactams as modulators of glutamate uptake and methods for use thereof TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-22 US disclosed
US-9975879-B2 Beta lactams as modulators of glutamate uptake and methods for use thereof TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-22 US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-9278987-B2 Functionally-modified oligonucleotides and subunits thereof SAREPTA THERAPEUTICS, INC. (US) 2016-03-08 US disclosed
US-9012462-B2 Phosphorous derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-8957075-B2 O-GlcNAc transferase inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-02-17 US disclosed
US-20140330006-A1 FUNCTIONALLY-MODIFIED OLIGONUCLEOTIDES AND SUBUNITS THEREOF SAREPTA THERAPEUTICS, INC. (US) 2014-11-06 US disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-03 US disclosed
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-03 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 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 (10 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-20220220069-A1 COMPOUND USED AS SIRT6 SMALL-MOLECULE ALLOSTERIC ACTIVATOR AND PHARMACEUTICAL COMPOSITION THEREOF SIRT6, SIRT1, SIRT7 SIGMAR1 3576/4885PHGDH 3306/4885MGLL 4447/4885
US-20180223278-A1 Functionally-Modified Oligonucleotides And Subunits Thereof RTCB, NSUN3, NSUN2 SIGMAR1 3521/4885PHGDH 3683/4885MGLL 4597/4885
US-20180162834-A1 Tricyclic Derivative Compound, Method for Preparing Same, and Pharmaceutical Composition Comprising Same TNKS, TNKS2, PARP1 SIGMAR1 2219/4885PHGDH 1346/4885MGLL 3310/4885
US-20140330006-A1 FUNCTIONALLY-MODIFIED OLIGONUCLEOTIDES AND SUBUNITS THEREOF RTCB, NSUN3, NSUN2 SIGMAR1 3521/4885PHGDH 3683/4885MGLL 4597/4885
US-10464919-B2 Tricyclic derivative compound, method for preparing same, and pharmaceutical composition comprising same TNKS, TNKS2, PARP1 SIGMAR1 2219/4885PHGDH 1346/4885MGLL 3310/4885
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 SIGMAR1 3112/4885PHGDH 485/4885MGLL 3040/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 SIGMAR1 3832/4885PHGDH 1935/4885MGLL 1868/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 SIGMAR1 1063/4885PHGDH 1833/4885MGLL 4273/4885
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF OGA, OGT, UGGT1 SIGMAR1 4805/4885PHGDH 550/4885MGLL 2078/4885
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use LRRK2, ADRM1, CRBN SIGMAR1 3038/4885PHGDH 3329/4885MGLL 1967/4885

“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.