SCHEMBL1777415

SCHEMBL1777415

O=C(O)N1CCCC[C@H]1Cc1nnc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
RAB9A P51151 5/20 0.48
ALDH1A1 P00352 5/20 0.48
HCRTR1 O43613 2/20 0.47
HCRTR2 O43614 2/20 0.47
TSPO P30536 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
ALOX15B O15296 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 2/20 0.42

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
SCHEMBL1777413 1.00 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AALDH1A1HCRTR1HCRTR2
SCHEMBL1778183 0.90 HCRTR2 (0.55) SMN1; SMN2RAB9AALDH1A1HCRTR1HCRTR2
SCHEMBL1778185 0.90 HCRTR2 (0.55) SMN1; SMN2RAB9AALDH1A1HCRTR1HCRTR2
SCHEMBL1778969 0.89 HCRTR1 (0.51) SMN1; SMN2RAB9AALDH1A1HCRTR1HCRTR2
SCHEMBL1778968 0.89 HCRTR1 (0.51) SMN1; SMN2RAB9AALDH1A1HCRTR1HCRTR2
SCHEMBL1776524 0.87 SMN1; SMN2 (0.58) SMN1; SMN2RAB9AALDH1A1HCRTR1HCRTR2
SCHEMBL1776525 0.87 SMN1; SMN2 (0.58) SMN1; SMN2RAB9AALDH1A1HCRTR1HCRTR2
SCHEMBL1779345 0.86 HCRTR1 (0.58) SMN1; SMN2RAB9AALDH1A1HCRTR1HCRTR2
SCHEMBL1779344 0.86 HCRTR1 (0.58) SMN1; SMN2RAB9AALDH1A1HCRTR1HCRTR2
SCHEMBL1776958 0.83 NPC1 (0.47) SMN1; SMN2RAB9AALDH1A1HCRTR1HCRTR2

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 6 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
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 SMN1; SMN2 3381/4885RAB9A 1592/4885ALDH1A1 1534/4885

“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.