SCHEMBL1776949

SCHEMBL1776949

COc1cccc(-c2cnc(CC3CCCCN3)[nH]2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.46
ADORA2A P29274 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.40
HCRTR1 O43613 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
SCHEMBL1777632 0.83 SCN2A (0.46) NPY5RSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL1778422 0.82 POLB (0.54) LTA4HPOLB
SCHEMBL1779471 0.81 IDO1 (0.41) NPY5RSLC6A4LTA4HPOLB
SCHEMBL1777866 0.75 TRPV1 (0.47) NPY5RSMN1; SMN2HCRTR1HCRTR2
SCHEMBL29557686 0.75 POLB (0.60) SLC6A2SLC6A4SLC6A3LTA4HPOLB
SCHEMBL3347513 0.75 POLB (0.60) SLC6A2SLC6A4SLC6A3LTA4HPOLB
Hydrochloric Acid SCHEMBL1778603 0.75 LTA4H (0.45) SMN1; SMN2LTA4HPOLB
SCHEMBL30475090 0.74 POLB (0.59) SLC6A2SLC6A4SLC6A3LTA4HPOLB
SCHEMBL11485377 0.74 POLB (0.59) SLC6A2SLC6A4SLC6A3LTA4HPOLB
Hydrochloric Acid SCHEMBL1778782 0.71 RAB9A (0.41) SMN1; SMN2LTA4H

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 NPY5R 25/4885ADORA2A 148/4885SLC6A2 592/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR NPY5R 21/4885ADORA2A 162/4885SLC6A2 709/4885

“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.