SCHEMBL1777632

SCHEMBL1777632

Clc1cccc(-c2cnc(CC3CCCCN3)[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.46
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
NPY5R Q15761 1/20 0.43
HTR1A P08908 1/20 0.41
CYP2D6 P10635 1/20 0.41
DRD2 P14416 1/20 0.41
HTR1D P28221 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
ADRA1B P35368 1/20 0.41
DRD3 P35462 1/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.41
XPO1 O14980 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
LTA4H P09960 1/20 0.38

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
SCHEMBL1778422 0.85 POLB (0.54) POLBHRH3LTA4H
SCHEMBL1779471 0.84 IDO1 (0.41) NPY5RPOLBSLC6A4LTA4H
SCHEMBL1776949 0.83 NPY5R (0.46) NPY5RCYP2D6POLBSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL1778603 0.77 LTA4H (0.45) KCNH2POLBHRH3LTA4H
SCHEMBL1777694 0.73 CNR1 (0.45) SCN2ACNR1CNR2
Hydrochloric Acid SCHEMBL1778782 0.73 RAB9A (0.41) HTR2ALTA4H
SCHEMBL6990304 0.73 POLB (0.66) HTR1ACYP2D6DRD2HTR1DHTR2A
SCHEMBL20828207 0.73 POLB (0.66) HTR1ACYP2D6DRD2HTR1DHTR2A
SCHEMBL29813025 0.73 POLB (0.66) HTR1ACYP2D6DRD2HTR1DHTR2A
SCHEMBL11478700 0.72 POLB (0.64) HTR1ACYP2D6DRD2HTR1DHTR2A

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 SCN2A 802/4885CNR1 11/4885CNR2 18/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR SCN2A 928/4885CNR1 10/4885CNR2 14/4885

“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.