SCHEMBL1778707

SCHEMBL1778707

Cc1cccc(-c2nnc(CC3CCCCN3)o2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 7/20 0.48
TLR8 Q9NR97 7/20 0.48
TLR7 Q9NYK1 7/20 0.48
POLB P06746 1/20 0.41
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
SYK P43405 1/20 0.35
KCNH2 Q12809 1/20 0.35
CCR1 P32246 1/20 0.34
CCR8 P51685 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE10A Q9Y233 1/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNA5 P30532 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
SCHEMBL1776870 0.81 TLR9 (0.47) TLR9TLR8TLR7POLBHRH3
SCHEMBL1776806 0.78 POLB (0.54) TLR9TLR8TLR7POLBKCNH2
SCHEMBL1776804 0.78 POLB (0.54) TLR9TLR8TLR7POLBKCNH2
SCHEMBL1779172 0.75 TLR9 (0.44) TLR9TLR8TLR7POLB
SCHEMBL1779170 0.75 TLR9 (0.44) TLR9TLR8TLR7POLB
SCHEMBL1779100 0.74 MKNK1 (0.48) TLR9TLR8TLR7POLBCYP1A2
SCHEMBL1779099 0.74 MKNK1 (0.48) TLR9TLR8TLR7POLBCYP1A2
SCHEMBL3169928 0.74 POLB (0.51) POLBHRH3CYP1A2CYP3A4CYP2D6
SCHEMBL1777910 0.72 TLR9 (0.42) TLR9TLR8TLR7POLBF2
SCHEMBL1777912 0.72 TLR9 (0.42) TLR9TLR8TLR7POLBF2

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.