SCHEMBL3415416

SCHEMBL3415416

Cc1ccc(CC(NC2=NCCO2)c2cccc(Cl)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.40
ADRA1A P35348 3/20 0.40
CFB P00751 1/20 0.37
SLC2A1 P11166 2/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
OPRK1 P41145 2/20 0.35
GMNN O75496 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HIF1A Q16665 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
NPBWR1 P48145 1/20 0.34

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
SCHEMBL4107387 0.90 CFB (0.37) ADRA2AADRA1ACFBTP53MAPT
SCHEMBL3414023 0.90 ADRA2A (0.40) ADRA2AADRA1ACFBTP53MAPT
SCHEMBL1157463 0.87 CFB (0.35) ADRA2AADRA1ACFBTP53MAPT
SCHEMBL1157281 0.85 ADRA2A (0.32) ADRA2AADRA1ACFBMAPTOPRK1
SCHEMBL3433520 0.83 CFB (0.41) ADRA2AADRA1ACFBTP53MAPT
SCHEMBL13771783 0.81 CFB (0.35) ADRA2AADRA1ACFBTP53MAPT
SCHEMBL1157443 0.80 CFB (0.36) ADRA2AADRA1ACFBTP53MAPT
SCHEMBL12637686 0.80 CFB (0.36) ADRA2AADRA1ACFBTP53MAPT
Ammonia Solution, Strong SCHEMBL1157402 0.79 CFB (0.36) ADRA2AADRA1ACFBTAAR1
SCHEMBL3415101 0.79 CFB (0.34) ADRA2AADRA1ACFBTP53MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102036664-B Selective subtype alpha 2 adrenergic agents and methods of use thereof ALLERGAN INC 2012-11-28 CN disclosed
CN-102036664-A Selective subtype alpha 2 adrenergic agents and methods of use thereof ALLERGAN INC 2011-04-27 CN disclosed
EP-2265269-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF Allergan, Inc. (US) 2010-12-29 EP disclosed
WO-2009120648-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-10-01 WO disclosed
US-20090239918-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-09-24 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 (1 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-20090239918-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ADRB2, ADRA2C, ADRA2A ADRA2A 3/4885ADRA1A 7/4885CFB 3222/4885

“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.