SCHEMBL671175

SCHEMBL671175

COC(=O)c1cc(Cl)cc2c1OC(C)(C)CC2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SERPINH1 P50454 1/20 0.36
ABL1 P00519 1/20 0.36
FFAR4 Q5NUL3 4/20 0.36
PDK2 Q15119 1/20 0.36
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL12035513 0.86 PKM (0.47) PKMNPSR1FFAR4ALDH1A1LMNA
SCHEMBL669624 0.85 FFAR4 (0.38) PKMNPSR1FFAR4
SCHEMBL14702595 0.85 PKM (0.40) PKMNPSR1FFAR4
SCHEMBL673400 0.78 LMNA (0.44) PKMNPSR1KDM4EALDH1A1LMNA
SCHEMBL7420663 0.77 MEN1 (0.45) MEN1KMT2ASERPINH1ABL1PDK2
SCHEMBL8364696 0.77 HTR3A (0.50) SERPINH1ABL1SLC6A4SLC6A3KDM4E
SCHEMBL7325572 0.77 FFAR4 (0.36) PKMNPSR1FFAR4
SCHEMBL12478267 0.76 NPSR1 (0.40) PKMNPSR1SERPINH1ABL1FFAR4
SCHEMBL8366432 0.75 HTR3A (0.43) MEN1KMT2ASERPINH1ABL1SLC6A4
SCHEMBL17269667 0.73 AKT1 (0.41) PKMLMNA

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 14 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
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
EP-2571356-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2013-03-27 EP disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 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
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 WO disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 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 (2 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 MEN1 1098/4885KMT2A 3514/4885PKM 1078/4885
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 MEN1 1411/4885KMT2A 3652/4885PKM 1179/4885

“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.