SCHEMBL1777211

SCHEMBL1777211

N#Cc1cccc(-c2cnc(CC3CCCCN3C(=O)O)[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
CPT2 P23786 3/20 0.46
CPT1A P50416 3/20 0.46
HDAC1 Q13547 2/20 0.45
CPT1B Q92523 1/20 0.44
PRCP P42785 3/20 0.42
F11 P03951 1/20 0.41
KLKB1 P03952 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
SCD O00767 1/20 0.41
SCD5 Q86SK9 1/20 0.41
PAX8 Q06710 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
DGAT2 Q96PD7 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
SCHEMBL1777093 0.86 OPRM1 (0.46) HDAC1PRCPOPRM1OPRD1
SCHEMBL1777694 0.85 CNR1 (0.45) HDAC1PRCPHCRTR1HCRTR2
SCHEMBL1777866 0.83 TRPV1 (0.47) KCNH2TRPV1PRCPHCRTR1HCRTR2
SCHEMBL1778875 0.80 KCNH2 (0.42) KCNH2TRPV1CPT2CPT1AHDAC1
SCHEMBL1777469 0.80 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL4590434 0.79 RAB9A (0.47) HDAC1PRCP
SCHEMBL1777666 0.79 RAB9A (0.47) HDAC1PRCP
SCHEMBL5254777 0.79 HDAC1 (0.39) KCNH2TRPV1CPT2CPT1AHDAC1
SCHEMBL1776470 0.76 RAB9A (0.46) HDAC1PRCPHCRTR1HCRTR2
SCHEMBL1779471 0.76 IDO1 (0.41) HDAC1PRCPF11KLKB1

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 KCNH2 827/4885TRPV1 94/4885CPT2 1127/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR KCNH2 948/4885TRPV1 73/4885CPT2 833/4885

“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.