SCHEMBL737322

SCHEMBL737322

O=C1OC2(CCNCC2)CN1c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
NPY5R Q15761 10/20 0.54
ADRA1A P35348 7/20 0.54
KCNH2 Q12809 5/20 0.54
TSHR P16473 1/20 0.46
HSD11B1 P28845 1/20 0.46
GRM5 P41594 4/20 0.44
HSD17B10 Q99714 1/20 0.43
USP2 O75604 1/20 0.41
CYP2D6 P10635 1/20 0.41
SSTR5 P35346 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
Bromide SCHEMBL3031379 0.98 OPRM1 (0.56) OPRM1SIGMAR1NPY5RADRA1AKCNH2
SCHEMBL3225883 0.91 OPRM1 (0.52) OPRM1SIGMAR1NPY5RADRA1AKCNH2
SCHEMBL669637 0.85 OPRM1 (0.43) OPRM1SIGMAR1NPY5RADRA1AKCNH2
SCHEMBL738186 0.85 NPY5R (0.44) OPRM1SIGMAR1NPY5RADRA1AKCNH2
SCHEMBL736968 0.85 NPY5R (0.49) OPRM1SIGMAR1NPY5RADRA1AKCNH2
SCHEMBL23459280 0.85 OPRM1 (0.43) OPRM1SIGMAR1NPY5RADRA1AKCNH2
SCHEMBL737144 0.85 OPRM1 (0.43) OPRM1SIGMAR1NPY5RADRA1AKCNH2
SCHEMBL11372471 0.85 HSD11B1 (0.45) OPRM1SIGMAR1NPY5RADRA1AKCNH2
SCHEMBL670724 0.84 SSTR5 (0.53) SSTR5
SCHEMBL3219771 0.84 OPRM1 (0.53) OPRM1SIGMAR1NPY5RADRA1AKCNH2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
US-8575167-B2 Spiro compounds having stearoyl-CoA desaturase action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-05 US disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20100197699-A1 I-OXA-3-Azaspiro (4.5) Decan-2-One And 1-OXA-3, 8-Diazaspiro (4.5) Decan-2-One Derivatives For The Treatment of Eating Disorders GLAXO GROUP LIMITED 2010-08-05 US disclosed
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US disclosed
EP-2121673-A1 I-OXA-3-AZASPIRO (4.5) DECAN-2-ONE AND 1-OXA-3, 8-DIAZASPIRO (4.5) DECAN-2-ONE DERIVATIVES FOR THE TREATMENT OF EATING DISORDERS Glaxo Group Limited (GB) 2009-11-25 EP disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
WO-2008092887-A1 I-OXA-3-AZASPIRO (4.5) DECAN-2-ONE AND 1-OXA-3, 8-DIAZASPIRO (4.5) DECAN-2-ONE DERIVATIVES FOR THE TREATMENT OF EATING DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 WO disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP disclosed
US-20060052597-A1 Aryloxyalkylamine derivatives as h3 receptor ligands BEST DESMOND J 2006-03-09 US disclosed
EP-1554260-A1 ARYLOXYALKYLAMINE DERIVATIVES AS H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2005-07-20 EP disclosed
WO-2004037800-A1 ARYLOXYALKYLAMINE DERIVATES AS H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2004-05-06 WO disclosed
US-4255432-A ANTIHYPERTENSIVE AGENTS, ANTIHISTAMINES, BRONCHODILATOR AGENTS, ANTIVASOSPASTIC AGENTS SYNTEX (U.S.A.) INC. (US) 1981-03-10 US disclosed
US-4244961-A 1-Oxa-3,8-diazaspiro[4.5]decan-2-ones antihypertensive agents SYNTEX (U.S.A.) INC. (US) 1981-01-13 US 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 (5 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-20060052597-A1 Aryloxyalkylamine derivatives as h3 receptor ligands HRH3, HTR6, HTR4 OPRM1 32/4885SIGMAR1 86/4885NPY5R 320/4885
US-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 OPRM1 15/4885SIGMAR1 11/4885NPY5R 385/4885
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF SCD, SPR, SCD5 OPRM1 2864/4885SIGMAR1 1459/4885NPY5R 2775/4885
US-20100197699-A1 I-OXA-3-Azaspiro (4.5) Decan-2-One And 1-OXA-3, 8-Diazaspiro (4.5) Decan-2-One Derivatives For The Treatment of Eating Disorders NPY5R, NPY1R, NPY4R OPRM1 63/4885SIGMAR1 52/4885NPY5R 1/4885
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS SSTR5, SSTR2, SSTR4 OPRM1 1086/4885SIGMAR1 483/4885NPY5R 4/4885

“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.