SCHEMBL669637

SCHEMBL669637

Cc1ccc(N2CC3(CCNCC3)OC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
NPY5R Q15761 5/20 0.41
KCNH2 Q12809 3/20 0.41
ADRA1A P35348 3/20 0.41
ADRB1 P08588 1/20 0.40
CDK4 P11802 4/20 0.39
SSTR5 P35346 4/20 0.37
HTR7 P34969 1/20 0.37
OPRL1 P41146 1/20 0.37
POLB P06746 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GRM2 Q14416 1/20 0.36

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
Hydrochloric Acid SCHEMBL670765 0.99 OPRM1 (0.42) OPRM1SIGMAR1NPY5RKCNH2ADRA1A
SCHEMBL737144 0.85 OPRM1 (0.43) OPRM1SIGMAR1NPY5RKCNH2ADRA1A
SCHEMBL11372471 0.85 HSD11B1 (0.45) OPRM1SIGMAR1NPY5RKCNH2ADRA1A
SCHEMBL736968 0.85 NPY5R (0.49) OPRM1SIGMAR1NPY5RKCNH2ADRA1A
SCHEMBL23459280 0.85 OPRM1 (0.43) OPRM1SIGMAR1NPY5RKCNH2ADRA1A
SCHEMBL737322 0.85 OPRM1 (0.58) OPRM1SIGMAR1NPY5RKCNH2ADRA1A
SCHEMBL735135 0.85 SSTR5 (0.46) SIGMAR1ADRB1SSTR5
Bromide SCHEMBL3031379 0.84 OPRM1 (0.56) OPRM1SIGMAR1NPY5RKCNH2ADRA1A
SCHEMBL11371356 0.83 HSD11B1 (0.51) OPRM1SIGMAR1NPY5RKCNH2ADRA1A
SCHEMBL738722 0.83 KCNJ1 (0.47) OPRM1SIGMAR1NPY5RKCNH2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2605658-B1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
EP-2605658-B1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
EP-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 EP disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 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-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.