SCHEMBL1120232

SCHEMBL1120232

C#CC(NC1=NCCO1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 13/20 0.41
ADRA2B P18089 12/20 0.41
ADRA2C P18825 12/20 0.41
ADRA1A P35348 5/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
GMNN O75496 1/20 0.41
CYP1A2 P05177 1/20 0.41
HTR1A P08908 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
OPRK1 P41145 1/20 0.41
HIF1A Q16665 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
KCNN4 O15554 1/20 0.38
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
CFB P00751 1/20 0.35

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
SCHEMBL13616137 0.85 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1ACYP3A4
SCHEMBL16509904 0.84 ADRA2A (0.39) ADRA2AADRA2BADRA2CADRA1ACYP3A4
SCHEMBL13616138 0.84 CFB (0.36) ADRA2AADRA2BADRA2CADRA1ACYP3A4
SCHEMBL13616139 0.80 ADRA2A (0.38) ADRA2AADRA2BADRA2CADRA1ACYP3A4
SCHEMBL1120243 0.78 ADRA2A (0.39) ADRA2AADRA2BADRA2CADRA1ACYP3A4
SCHEMBL11250505 0.77 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1ACYP3A4
SCHEMBL9883869 0.76 TAAR1 (0.50) ADRA2AADRA2BADRA2CADRA1ACYP3A4
SCHEMBL2017610 0.76 TAAR1 (0.50) ADRA2AADRA2BADRA2CADRA1ACYP3A4
SCHEMBL1784726 0.76 TAAR1 (0.50) ADRA2AADRA2BADRA2CADRA1ACYP3A4
SCHEMBL11248212 0.76 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8080570-B2 α2B and α2C agonists ALLERGAN, INC. (US) 2011-12-20 US disclosed
US-8080570-B2 α2B and α2C agonists ALLERGAN, INC. (US) 2011-12-20 US disclosed
US-8080570-B2 α2B and α2C agonists ALLERGAN, INC. (US) 2011-12-20 US disclosed
EP-2280707-A1 ALPHA2B AND ALPHA2C AGONISTS Allergan, Inc. (US) 2011-02-09 EP disclosed
WO-2009137340-A1 ALPHA2B AND ALPHA2C AGONISTS ALLERGAN, INC. (US) 2009-11-12 WO disclosed
WO-2009137340-A1 ALPHA2B AND ALPHA2C AGONISTS ALLERGAN, INC. (US) 2009-11-12 WO disclosed
US-20090275627-A1 ALPHA2B AND ALPHA2C AGONISTS ALLERGAN, INC. (US) 2009-11-05 US disclosed
US-20090275627-A1 ALPHA2B AND ALPHA2C AGONISTS ALLERGAN, INC. (US) 2009-11-05 US disclosed
US-20090275627-A1 ALPHA2B AND ALPHA2C AGONISTS ALLERGAN, INC. (US) 2009-11-05 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-20090275627-A1 ALPHA2B AND ALPHA2C AGONISTS ADRA2B, ADRA2C, ADRB2 ADRA2A 4/4885ADRA2B 1/4885ADRA2C 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.