SCHEMBL1779345

SCHEMBL1779345

O=C(O)N1CCCC1Cc1nnc(-c2ccccc2)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.58
HCRTR2 O43614 2/20 0.58
TSPO P30536 1/20 0.58
OPRK1 P41145 1/20 0.58
HTR2B P41595 1/20 0.58
FFAR4 Q5NUL3 1/20 0.58
RAB9A P51151 5/20 0.53
NPC1 O15118 3/20 0.53
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.52
PKM P14618 1/20 0.52
ATM Q13315 1/20 0.48
NOTUM Q6P988 2/20 0.47
SCD5 Q86SK9 1/20 0.47
POLB P06746 2/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL1779344 1.00 HCRTR1 (0.58) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1778185 0.96 HCRTR2 (0.55) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1778183 0.96 HCRTR2 (0.55) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL28177280 0.93 HCRTR1 (0.58) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1777415 0.86 SMN1; SMN2 (0.55) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1778968 0.86 HCRTR1 (0.51) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1778969 0.86 HCRTR1 (0.51) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1777413 0.86 SMN1; SMN2 (0.55) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1776524 0.85 SMN1; SMN2 (0.58) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1778999 0.85 HCRTR1 (0.50) HCRTR1HCRTR2TSPOOPRK1HTR2B

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 4 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

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 HCRTR1 2/4885HCRTR2 1/4885TSPO 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.