SCHEMBL1779099

SCHEMBL1779099

c1ccc2oc(-c3nnc(CC4CCCCN4)o3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.48
POLB P06746 1/20 0.44
TLR9 Q9NR96 6/20 0.42
TLR8 Q9NR97 6/20 0.42
TLR7 Q9NYK1 6/20 0.42
CYP2D6 P10635 3/20 0.40
ADRA2A P08913 3/20 0.40
CYP1A2 P05177 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL1779100 1.00 MKNK1 (0.48) MKNK1POLBTLR9TLR8TLR7
SCHEMBL1776804 0.80 POLB (0.54) POLBTLR9TLR8TLR7ALDH1A1
SCHEMBL1776806 0.80 POLB (0.54) POLBTLR9TLR8TLR7ALDH1A1
SCHEMBL1779172 0.80 TLR9 (0.44) POLBTLR9TLR8TLR7KDM4E
SCHEMBL1779170 0.80 TLR9 (0.44) POLBTLR9TLR8TLR7KDM4E
SCHEMBL1776870 0.76 TLR9 (0.47) POLBTLR9TLR8TLR7KDM4E
SCHEMBL1257003 0.76 ADRA2A (0.57) MKNK1POLBCYP2D6ADRA2ACYP1A2
SCHEMBL1778707 0.74 TLR9 (0.48) POLBTLR9TLR8TLR7CYP2D6
SCHEMBL1777910 0.74 TLR9 (0.42) POLBTLR9TLR8TLR7CYP2D6
SCHEMBL1777912 0.74 TLR9 (0.42) POLBTLR9TLR8TLR7CYP2D6

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
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

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 MKNK1 2505/4885POLB 4624/4885TLR9 1772/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR MKNK1 2745/4885POLB 4779/4885TLR9 1976/4885

“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.