SCHEMBL1157005

SCHEMBL1157005

Cc1cncc(CC(NC2=NCCO2)c2cccc(F)c2F)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
IDH1 O75874 1/20 0.33
ADRA2A P08913 2/20 0.32
ADRA1A P35348 2/20 0.32
SCN9A Q15858 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CTSA P10619 1/20 0.30
CFB P00751 1/20 0.30

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
SCHEMBL3672711 0.90 GRIN1 (0.33) GRIN1GRIN2BIDH1ADRA2AADRA1A
SCHEMBL3736798 0.88 GRIN1 (0.35) GRIN1GRIN2BIDH1CFB
SCHEMBL3670063 0.86 TAAR1 (0.36) CYP11B1CYP11B2ADRA2AADRA1ATAAR1
SCHEMBL3669310 0.84 CFB (0.36) ADRA2AADRA1ATAAR1CTSACFB
SCHEMBL12637698 0.82 TAAR1 (0.42) ADRA2AADRA1ATAAR1
SCHEMBL1156838 0.81 ADRA2A (0.35) CYP11B1CYP11B2ADRA2AADRA1ATAAR1
SCHEMBL12637716 0.80 TAAR1 (0.35) ADRA2AADRA1ATAAR1CFB
SCHEMBL1157463 0.79 CFB (0.35) GRIN1GRIN2BCYP11B1CYP11B2ADRA2A
SCHEMBL1157345 0.78 ADRA2A (0.46) ADRA2AADRA1ATAAR1
SCHEMBL3665641 0.76 ADRA2A (0.33) IDH1ADRA2AADRA1ATAAR1CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242753-B1 OXAZOLIDINE AND THIAZOLIDINE SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN INC (US) 2015-04-08 EP disclosed
EP-2242753-B1 OXAZOLIDINE AND THIAZOLIDINE SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN INC (US) 2015-04-08 EP disclosed
US-20140206701-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2014-07-24 US disclosed
US-20140206701-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2014-07-24 US disclosed
US-20140206701-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2014-07-24 US disclosed
US-8735399-B2 Selective subtype alpha 2 adrenergic agents and methods for use thereof ALLERGAN, INC. (US) 2014-05-27 US disclosed
US-8735399-B2 Selective subtype alpha 2 adrenergic agents and methods for use thereof ALLERGAN, INC. (US) 2014-05-27 US disclosed
US-8735399-B2 Selective subtype alpha 2 adrenergic agents and methods for use thereof ALLERGAN, INC. (US) 2014-05-27 US disclosed
EP-2240468-B1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN INC (US) 2013-10-16 EP disclosed
US-8362022-B2 Selective subtype alpha 2 adrenergic agents and methods for use thereof ALLERGAN, INC. (US) 2013-01-29 US disclosed
US-20110105526-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. 2011-05-05 US disclosed
US-20110034517-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2011-02-10 US disclosed
US-20110034517-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2011-02-10 US disclosed
US-20110034517-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2011-02-10 US disclosed
EP-2242753-A1 OXAZOLIDINE AND THIAZOLIDINE SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2010-10-27 EP disclosed
EP-2240468-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2010-10-20 EP disclosed
WO-2009091759-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-07-23 WO disclosed
WO-2009091760-A1 OXAZOLIDINE AND THIAZOLIDINE SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-07-23 WO disclosed
WO-2009091760-A1 OXAZOLIDINE AND THIAZOLIDINE SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-07-23 WO disclosed
WO-2009091759-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-07-23 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 (3 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-20140206701-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ADRB2, ADRA2C, ADRA2A GRIN1 1586/4885GRIN2B 657/4885CYP11B1 192/4885
US-20110034517-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ADRB2, ADRA2C, ADRA2A GRIN1 1553/4885GRIN2B 653/4885CYP11B1 205/4885
US-20110105526-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ADRB2, ADRA2C, ADRA2A GRIN1 1580/4885GRIN2B 638/4885CYP11B1 280/4885

“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.