SCHEMBL3414023

SCHEMBL3414023

Clc1cccc(C(Cc2ccccc2)NC2=NCCO2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.40
ADRA2B P18089 6/20 0.40
ADRA2C P18825 6/20 0.40
KCNN3 Q9UGI6 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 1/20 0.38
CFB P00751 1/20 0.37
GMNN O75496 1/20 0.37
HTR1A P08908 1/20 0.37
TSHR P16473 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRK1 P41145 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL3415416 0.90 ADRA2A (0.40) ADRA2AADRA2BADRA2CCYP1A2CYP3A4
SCHEMBL4107387 0.89 CFB (0.37) ADRA2AADRA2BADRA2CCYP1A2CYP3A4
SCHEMBL2019626 0.87 L3MBTL1 (0.49) ADRA2AADRA2BADRA2CKCNN3KDM4E
SCHEMBL1157281 0.85 ADRA2A (0.32) ADRA2AADRA2BADRA2CKCNN3KDM4E
SCHEMBL3433520 0.84 CFB (0.41) ADRA2AADRA2BADRA2CCYP1A2CYP3A4
SCHEMBL3415101 0.84 CFB (0.34) ADRA2AADRA2BADRA2CCYP1A2CYP3A4
SCHEMBL1157463 0.84 CFB (0.35) ADRA2ACFBADRA1ATP53MAPT
SCHEMBL3414421 0.82 TAAR1 (0.42) ADRA2AKDM4ENPSR1L3MBTL1CYP2D6
SCHEMBL1157481 0.81 KCNA5 (0.36) ADRA2AADRA2BADRA2CCYP1A2CYP3A4
SCHEMBL1157462 0.80 KCNA5 (0.35) ADRA2AADRA2BADRA2CCYP1A2CYP3A4

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 3/4885ADRA2B 4/4885ADRA2C 2/4885

“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.