SCHEMBL12637698

SCHEMBL12637698

COc1cccc(C(Cc2cncc(C)c2)NC2=NCCO2)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
ADRA2A P08913 2/20 0.36
ADRA1A P35348 2/20 0.36
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
P4HB P07237 1/20 0.32
SMAD3 P84022 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32

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
SCHEMBL3671318 0.90 TAAR1 (0.39) TAAR1ADRA2AADRA1AMEN1KMT2A
SCHEMBL12637708 0.90 TAAR1 (0.39) TAAR1ADRA2AADRA1AP4HBSMAD3
SCHEMBL3670063 0.83 TAAR1 (0.36) TAAR1ADRA2AADRA1ACYP2D6CYP2C19
SCHEMBL1157345 0.82 ADRA2A (0.46) TAAR1ADRA2AADRA1A
SCHEMBL3669310 0.82 CFB (0.36) TAAR1ADRA2AADRA1A
SCHEMBL1157005 0.82 GRIN1 (0.35) TAAR1ADRA2AADRA1A
SCHEMBL1156838 0.79 ADRA2A (0.35) TAAR1ADRA2AADRA1ACYP2D6CYP2C19
SCHEMBL1157463 0.77 CFB (0.35) TAAR1ADRA2AADRA1A
SCHEMBL3804757 0.74 CFB (0.36) TAAR1ADRA2AADRA1A
SCHEMBL12637716 0.74 TAAR1 (0.35) TAAR1ADRA2AADRA1AP2RX7

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 17 patents. 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
US-8362022-B2 Selective subtype alpha 2 adrenergic agents and methods for use thereof ALLERGAN, INC. (US) 2013-01-29 US disclosed
US-8362022-B2 Selective subtype alpha 2 adrenergic agents and methods for use thereof ALLERGAN, INC. (US) 2013-01-29 US 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-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
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

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 TAAR1 96/4885ADRA2A 3/4885ADRA1A 8/4885
US-20110034517-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ADRB2, ADRA2C, ADRA2A TAAR1 96/4885ADRA2A 3/4885ADRA1A 8/4885
US-20110105526-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ADRB2, ADRA2C, ADRA2A TAAR1 104/4885ADRA2A 3/4885ADRA1A 9/4885

“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.