SCHEMBL8077368

SCHEMBL8077368

CC(C)[C@H]1CC[C@@H](c2ncc[nH]2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 7/20 0.46
HTR2B P41595 5/20 0.38
ADRA2A P08913 3/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1B P35368 1/20 0.36
GRM4 Q14833 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL196337 0.84
SCHEMBL9728326 0.79 ADRA1A (0.50) ADRA1AHTR2BADRA2AADRA1DADRA1B
SCHEMBL10231332 0.79 ADRA1A (0.50) ADRA1AHTR2BADRA2AADRA1DADRA1B
SCHEMBL4585762 0.77 ADRA1A (0.52) ADRA1AHTR2BADRA2AADRA1DADRA1B
SCHEMBL7809418 0.77 ADRA1A (0.52) ADRA1AHTR2BADRA2AADRA1DADRA1B
SCHEMBL184451 0.77 ADRA1A (0.55) ADRA1AHTR2BADRA2AADRA1DADRA1B
SCHEMBL1494449 0.77
SCHEMBL7996883 0.76 HTR2B (0.45) ADRA1AHTR2BADRA2AADRA1DADRA1B
SCHEMBL1543782 0.76 ADRA1A (0.50) ADRA1AHTR2BADRA2AADRA1DADRA1B
SCHEMBL5163454 0.75 ADRA1A (0.46) ADRA1AHTR2BADRA2AADRA1DADRA1B

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
US-9725450-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2017-08-08 US disclosed
US-20160039822-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2016-02-11 US disclosed
US-9187479-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2015-11-17 US disclosed
US-20140206697-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2014-07-24 US disclosed
US-8680076-B2 Methods of treatment, improvement and prevention using haloaryl substituted aminopurines SIGNAL PHARMACEUTICALS, LLC (US) 2014-03-25 US disclosed
US-20130225564-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2013-08-29 US disclosed
US-8440661-B2 Methods of modulating inflammatory cell recruitment and gene expression using haloaryl substituted aminopurines SIGNAL PHARMACEUTICALS, LLC (US) 2013-05-14 US disclosed
US-20120129807-A1 METHODS OF TREATMENT, IMPROVEMENT AND PREVENTION USING HALOARYL SUBSTITUTED AMINOPURINES SIGNAL PHARMACEUTICALS, LLC 2012-05-24 US disclosed
US-20120129807-A1 METHODS OF TREATMENT, IMPROVEMENT AND PREVENTION USING HALOARYL SUBSTITUTED AMINOPURINES SIGNAL PHARMACEUTICALS, LLC 2012-05-24 US disclosed
US-8101588-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-01-24 US disclosed
US-7759342-B2 Methods of treatment and prevention using haloaryl substituted aminopurines SIGNAL PHARMACEUTICALS, LLC (US) 2010-07-20 US disclosed
US-7723340-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2010-05-25 US disclosed
US-7723340-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2010-05-25 US disclosed
US-20090312320-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HALOARYL SUBSTITUTED AMINOPURINES OR COMPOSITIONS THEREOF SIGNAL PHARMACEUTICALS, LLC 2009-12-17 US disclosed
US-20090275564-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH ALBERS RONALD J 2009-11-05 US disclosed
US-7521446-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2009-04-21 US disclosed
US-7521446-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2009-04-21 US disclosed
US-20080021048-A1 Methods of treatment and prevention using haloaryl substituted aminopurines SIGNAL PHARMACEUTICALS, LLC 2008-01-24 US disclosed
US-20070060598-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2007-03-15 US disclosed
US-20070060598-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2007-03-15 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 (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-20120129807-A1 METHODS OF TREATMENT, IMPROVEMENT AND PREVENTION USING HALOARYL SUBSTITUTED AMINOPURINES TPMT, MGMT, UNG ADRA1A 1700/4885HTR2B 1579/4885ADRA2A 1189/4885
US-20090275564-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 ADRA1A 535/4885HTR2B 2436/4885ADRA2A 663/4885
US-20140206697-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 ADRA1A 535/4885HTR2B 2436/4885ADRA2A 663/4885
US-20130225564-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 ADRA1A 535/4885HTR2B 2436/4885ADRA2A 663/4885
US-20080021048-A1 Methods of treatment and prevention using haloaryl substituted aminopurines TPMT, MGMT, SMAD3 ADRA1A 655/4885HTR2B 2465/4885ADRA2A 833/4885
US-20160039822-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 ADRA1A 535/4885HTR2B 2436/4885ADRA2A 663/4885
US-20090312320-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HALOARYL SUBSTITUTED AMINOPURINES OR COMPOSITIONS THEREOF TPMT, MGMT, SMAD3 ADRA1A 951/4885HTR2B 2865/4885ADRA2A 1104/4885
US-20070060598-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith TPMT, MGMT, HPRT1 ADRA1A 535/4885HTR2B 2436/4885ADRA2A 663/4885

“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.