SCHEMBL1780187

SCHEMBL1780187

O=C(O)N1CCCC[C@H]1Cc1nnc(-c2cccc(Cl)c2Cl)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.44
HCRTR1 O43613 3/20 0.44
TSPO P30536 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
CALCRL Q16602 1/20 0.44
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 4/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 2/20 0.39
TP53 P04637 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 4/20 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
SCHEMBL1780184 1.00 HCRTR2 (0.44) HCRTR2HCRTR1TSPOOPRK1HTR2B
SCHEMBL1776958 0.92 NPC1 (0.47) HCRTR2HCRTR1TSPOOPRK1HTR2B
SCHEMBL1776961 0.92 NPC1 (0.47) HCRTR2HCRTR1TSPOOPRK1HTR2B
SCHEMBL1776524 0.82 SMN1; SMN2 (0.58) HCRTR2HCRTR1TSPOOPRK1HTR2B
SCHEMBL1776525 0.82 SMN1; SMN2 (0.58) HCRTR2HCRTR1TSPOOPRK1HTR2B
SCHEMBL1778183 0.82 HCRTR2 (0.55) HCRTR2HCRTR1TSPOOPRK1HTR2B
SCHEMBL1778185 0.82 HCRTR2 (0.55) HCRTR2HCRTR1TSPOOPRK1HTR2B
SCHEMBL1777415 0.81 SMN1; SMN2 (0.55) HCRTR2HCRTR1TSPOOPRK1HTR2B
SCHEMBL1777413 0.81 SMN1; SMN2 (0.55) HCRTR2HCRTR1TSPOOPRK1HTR2B
SCHEMBL1779345 0.78 HCRTR1 (0.58) HCRTR2HCRTR1TSPOOPRK1HTR2B

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
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 HCRTR2 1/4885HCRTR1 2/4885TSPO 408/4885

“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.