SCHEMBL1777866

SCHEMBL1777866

COc1cccc(-c2cnc(CC3CCCCN3C(=O)O)[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.47
HCRTR1 O43613 4/20 0.46
HCRTR2 O43614 4/20 0.46
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DAGLB Q8NCG7 3/20 0.44
GRM5 P41594 2/20 0.43
ABHD6 Q9BV23 1/20 0.42
DAGLA Q9Y4D2 1/20 0.42
KCNH2 Q12809 1/20 0.41
NPY5R Q15761 1/20 0.41
PRCP P42785 1/20 0.41

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) ABHD6DAGLAPRCP
SCHEMBL1777694 0.85 CNR1 (0.45) HCRTR1HCRTR2TSHRSMN1; SMN2GRM5
SCHEMBL1777211 0.83 KCNH2 (0.47) TRPV1HCRTR1HCRTR2KCNH2PRCP
SCHEMBL1778496 0.80 ABHD6 (0.43) TRPV1HCRTR1HCRTR2DAGLBABHD6
SCHEMBL1777184 0.80 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL1777666 0.79 RAB9A (0.47) RAB9ASMN1; SMN2DAGLBABHD6DAGLA
SCHEMBL4590434 0.79 RAB9A (0.47) RAB9ASMN1; SMN2DAGLBABHD6DAGLA
SCHEMBL1776470 0.76 RAB9A (0.46) HCRTR1HCRTR2RAB9ASMN1; SMN2PRCP
SCHEMBL1776949 0.75 NPY5R (0.46) HCRTR1HCRTR2SMN1; SMN2NPY5R
SCHEMBL1779443 0.73 HCRTR1 (0.55) HCRTR1HCRTR2

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-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 (1 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 TRPV1 94/4885HCRTR1 2/4885HCRTR2 1/4885

“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.