SCHEMBL1157481

SCHEMBL1157481

Clc1cccc(C(Cc2cccnc2Cl)NC2=NCCO2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.36
CFB P00751 1/20 0.34
P2RX7 Q99572 1/20 0.32
BACE1 P56817 1/20 0.32
RPS6KB1 P23443 2/20 0.31
AKT1 P31749 1/20 0.31
AURKB Q96GD4 1/20 0.31
INCENP Q9NQS7 1/20 0.31
GMNN O75496 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL1157462 0.91 KCNA5 (0.35) KCNA5CFBBACE1RPS6KB1AKT1
SCHEMBL1157415 0.90 CFB (0.37) CFBP2RX7ADRA2AADRA1A
SCHEMBL1157181 0.90 CFB (0.33) CFBP2RX7ADRA2AADRA2BADRA2C
SCHEMBL1156876 0.90 KCNA5 (0.35) KCNA5CFBBACE1RPS6KB1AKT1
SCHEMBL13771783 0.90 CFB (0.35) KCNA5CFBBACE1RPS6KB1ADRA2A
SCHEMBL1157104 0.90 CFB (0.33) CFBP2RX7RPS6KB1AKT1AURKB
SCHEMBL13771777 0.87 KCNA5 (0.33) KCNA5CFBRPS6KB1AURKA
SCHEMBL3415101 0.84 CFB (0.34) CFBGMNNCYP1A2CYP3A4HTR1A
SCHEMBL3433520 0.84 CFB (0.41) CFBGMNNCYP1A2CYP3A4HTR1A
SCHEMBL3414421 0.81 TAAR1 (0.42) CFBADRA2ACYP2D6ADRA1A

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 18 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
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-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
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 KCNA5 635/4885CFB 4622/4885P2RX7 611/4885
US-20110034517-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ADRB2, ADRA2C, ADRA2A KCNA5 640/4885CFB 4625/4885P2RX7 556/4885
US-20110105526-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ADRB2, ADRA2C, ADRA2A KCNA5 953/4885CFB 4814/4885P2RX7 614/4885

“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.