SCHEMBL1778141

SCHEMBL1778141

c1ccc(-c2coc(CC3CCCCN3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
LTA4H P09960 7/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE10A Q9Y233 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
ADRA1B P35368 1/20 0.37
KCNH2 Q12809 1/20 0.37
AKR1B1 P15121 1/20 0.37
HTR6 P50406 1/20 0.36

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
SCHEMBL1778143 1.00 POLB (0.52) POLBLTA4HCYP1A2CYP2D6CYP3A4
SCHEMBL1776786 0.96 POLB (0.47) POLBLTA4HHTR2AHTR6
SCHEMBL1776804 0.75 POLB (0.54) POLBLTA4HKMT2AKCNH2
SCHEMBL6643311 0.75 POLB (0.54) POLBLTA4HCYP1A2CYP2D6CYP3A4
SCHEMBL1776806 0.75 POLB (0.54) POLBLTA4HKMT2AKCNH2
SCHEMBL1778077 0.74 POLB (0.52) POLBLTA4HCYP1A2CYP2D6CYP3A4
SCHEMBL1776444 0.74 POLB (0.52) POLBLTA4HHRH3KMT2A
SCHEMBL1776445 0.74 POLB (0.52) POLBLTA4HHRH3KMT2A
SCHEMBL1778079 0.74 POLB (0.52) POLBLTA4HCYP1A2CYP2D6CYP3A4
SCHEMBL20414272 0.73 POLB (0.51) POLBLTA4HCYP1A2CYP2D6CYP3A4

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 4624/4885LTA4H 930/4885CYP1A2 2024/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR POLB 4779/4885LTA4H 990/4885CYP1A2 2772/4885

“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.