SCHEMBL1777912

SCHEMBL1777912

c1cc(-c2nnc(C[C@@H]3CCCCN3)o2)c2ccoc2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 7/20 0.42
TLR8 Q9NR97 7/20 0.42
TLR7 Q9NYK1 7/20 0.42
EED O75530 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.35
F2 P00734 2/20 0.33
F10 P00742 2/20 0.33
PLAT P00750 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PIK3CG P48736 1/20 0.32
HTR6 P50406 4/20 0.32
HTR2A P28223 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
SCHEMBL1777910 1.00 TLR9 (0.42) TLR9TLR8TLR7EEDPOLB
SCHEMBL1779172 0.77 TLR9 (0.44) TLR9TLR8TLR7POLB
SCHEMBL1779170 0.77 TLR9 (0.44) TLR9TLR8TLR7POLB
SCHEMBL1776806 0.75 POLB (0.54) TLR9TLR8TLR7POLB
SCHEMBL1776804 0.75 POLB (0.54) TLR9TLR8TLR7POLB
SCHEMBL1779100 0.74 MKNK1 (0.48) TLR9TLR8TLR7POLBCYP2D6
SCHEMBL1779099 0.74 MKNK1 (0.48) TLR9TLR8TLR7POLBCYP2D6
SCHEMBL1778707 0.72 TLR9 (0.48) TLR9TLR8TLR7POLBCYP2D6
SCHEMBL1776870 0.71 TLR9 (0.47) TLR9TLR8TLR7POLBHRH3
SCHEMBL1257463 0.66 POLB (0.51) POLBCYP2D6HRH3HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943645-B2 Piperidine compounds for use as orexin receptor antagonist SMITHKLINE BEECHAM LIMITED (GB) 2011-05-17 US disclosed
US-20090082390-A1 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM P.L.C. 2009-03-26 US disclosed
US-7423052-B2 Piperidine compounds for use as orexin receptor antagoinst SMITHKLINE BEECHAM P.L.C. (GB) 2008-09-09 US disclosed
EP-1406897-B1 COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2007-03-14 EP disclosed
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist SMITHKLINE BEECHAM LIMITED (GB) 2004-10-28 US disclosed
EP-1406897-A2 COMPOUNDS SmithKline Beecham plc (GB) 2004-04-14 EP disclosed
WO-2003002559-A2 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM P.L.C. (GB) 2003-01-09 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 (2 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-20090082390-A1 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST HCRTR2, HCRTR1, OXTR TLR9 1772/4885TLR8 1455/4885TLR7 1101/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR TLR9 1976/4885TLR8 1866/4885TLR7 1602/4885

“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.