SCHEMBL382773

SCHEMBL382773

CC(C)(C)C(=O)N[C@H]1CCNC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.45
ALDH1A1 P00352 1/20 0.45
CCR2 P41597 1/20 0.42
KCNH2 Q12809 1/20 0.42
POLB P06746 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
SSTR4 P31391 2/20 0.38
SSTR1 P30872 1/20 0.38
KDM1A O60341 1/20 0.37
TLR9 Q9NR96 2/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
MAPK1 P28482 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
SCHEMBL5873642 1.00 EPHX1 (0.45) EPHX1ALDH1A1CCR2KCNH2POLB
SCHEMBL12207206 1.00 EPHX1 (0.45) EPHX1ALDH1A1CCR2KCNH2POLB
SCHEMBL15317769 0.89 MAPK1 (0.47) EPHX1ALDH1A1CCR2PDK1PDK2
SCHEMBL6697632 0.88 EPHX1 (0.59) EPHX1ALDH1A1CCR2POLBPDK1
SCHEMBL13459921 0.87 EPHX1 (0.44) EPHX1KCNH2POLBPDK1PDK2
SCHEMBL12207213 0.84 ALDH1A1 (0.46) EPHX1ALDH1A1CCR2PDK1PDK2
SCHEMBL1029383 0.81 EPHX1 (0.45) EPHX1KCNH2POLBPDK1PDK2
SCHEMBL3405244 0.81 EPHX1 (0.45) EPHX1KCNH2POLBPDK1PDK2
SCHEMBL3402629 0.81 EPHX1 (0.45) EPHX1KCNH2POLBPDK1PDK2
SCHEMBL12334950 0.80 KCNH2 (0.47) EPHX1CCR2KCNH2POLBPDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428094-B2 Amide compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-10-01 US disclosed
US-10005802-B2 Amide compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
US-10005802-B2 Amide compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
US-20170298084-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-10-19 US disclosed
US-20170298084-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-10-19 US disclosed
US-9725450-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2017-08-08 US disclosed
US-9695205-B2 Amide compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-9695205-B2 Amide compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-20160362398-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20160039822-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2016-02-11 US disclosed
EP-2112151-A2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2009-10-28 EP disclosed
EP-1838710-B1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2009-07-01 EP disclosed
US-7521446-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2009-04-21 US disclosed
EP-2010186-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-01-07 EP disclosed
US-20080021048-A1 Methods of treatment and prevention using haloaryl substituted aminopurines SIGNAL PHARMACEUTICALS, LLC 2008-01-24 US disclosed
WO-2007127382-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-11-08 WO disclosed
EP-1838710-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, Inc. (US) 2007-10-03 EP disclosed
US-20070060598-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2007-03-15 US disclosed
US-20060287344-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith PHARMACOPEIA, LLC 2006-12-21 US disclosed
WO-2006076595-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2006-07-20 WO 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 (8 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-20060287344-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith TPMT, MGMT, HPRT1 EPHX1 2147/4885ALDH1A1 1254/4885CCR2 122/4885
US-20160362398-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, CFH EPHX1 1777/4885ALDH1A1 3650/4885CCR2 2990/4885
US-20170298084-A1 AMIDE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, C9 EPHX1 3368/4885ALDH1A1 2385/4885CCR2 1140/4885
US-10005802-B2 Amide compounds for treatment of complement mediated disorders CFD, TFPI, CFH EPHX1 1777/4885ALDH1A1 3650/4885CCR2 2990/4885
US-20080021048-A1 Methods of treatment and prevention using haloaryl substituted aminopurines TPMT, MGMT, SMAD3 EPHX1 2319/4885ALDH1A1 1581/4885CCR2 137/4885
US-10428094-B2 Amide compounds for treatment of complement mediated disorders CFD, TFPI, C9 EPHX1 3368/4885ALDH1A1 2385/4885CCR2 1140/4885
US-20160039822-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 EPHX1 1859/4885ALDH1A1 1337/4885CCR2 151/4885
US-20070060598-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith TPMT, MGMT, HPRT1 EPHX1 1859/4885ALDH1A1 1337/4885CCR2 151/4885

“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.