SCHEMBL1776804

SCHEMBL1776804

c1ccc(-c2nnc(CC3CCCCN3)o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
TLR9 Q9NR96 6/20 0.48
TLR8 Q9NR97 6/20 0.48
TLR7 Q9NYK1 6/20 0.48
ALDH1A1 P00352 3/20 0.48
NOTUM Q6P988 2/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 5/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
LTA4H P09960 2/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL1776806 1.00 POLB (0.54) POLBTLR9TLR8TLR7ALDH1A1
SCHEMBL1776870 0.82 TLR9 (0.47) POLBTLR9TLR8TLR7ALDH1A1
SCHEMBL1779170 0.81 TLR9 (0.44) POLBTLR9TLR8TLR7ALDH1A1
SCHEMBL1779172 0.81 TLR9 (0.44) POLBTLR9TLR8TLR7ALDH1A1
SCHEMBL1779099 0.80 MKNK1 (0.48) POLBTLR9TLR8TLR7ALDH1A1
SCHEMBL1779100 0.80 MKNK1 (0.48) POLBTLR9TLR8TLR7ALDH1A1
SCHEMBL1778707 0.78 TLR9 (0.48) POLBTLR9TLR8TLR7KCNH2
SCHEMBL1776444 0.77 POLB (0.52) POLBNOTUMTSHRKMT2ALTA4H
SCHEMBL1776445 0.77 POLB (0.52) POLBNOTUMTSHRKMT2ALTA4H
SCHEMBL1777912 0.75 TLR9 (0.42) POLBTLR9TLR8TLR7

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 POLB 4624/4885TLR9 1772/4885TLR8 1455/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR POLB 4779/4885TLR9 1976/4885TLR8 1866/4885

“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.