SCHEMBL671667

SCHEMBL671667

O=Cc1cn(C2CC2)c2cccc(Br)c12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.40
SLC5A2 P31639 2/20 0.35
SLC5A1 P13866 1/20 0.34
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
ALDH1A1 P00352 2/20 0.32
IMPDH2 P12268 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRL1 P41146 1/20 0.32
GRM2 Q14416 2/20 0.31
LMNA P02545 1/20 0.31
HTR6 P50406 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL671676 0.81 ALDH1A1 (0.31) ALDH1A1IMPDH2OPRM1OPRD1OPRL1
SCHEMBL2599783 0.79 PARP1 (0.38) CYP2A6PIM1PIM3PIM2ALDH1A1
SCHEMBL27791426 0.76 CYP2A6 (0.45) CYP2A6PIM1PIM3PIM2ALDH1A1
SCHEMBL672731 0.75 ALDH1A1 (0.37) ALDH1A1HTR6
SCHEMBL1429258 0.74 ALDH1A1 (0.54) CYP2A6PIM1PIM3PIM2ALDH1A1
SCHEMBL672439 0.73 CTSL (0.35) HTR6
SCHEMBL672222 0.71 GRM5 (0.33) CYP2A6HTR6
SCHEMBL672866 0.71 CYP2A6 (0.41) CYP2A6PIM1PIM3PIM2ALDH1A1
SCHEMBL20503064 0.71 CYP2A6 (0.41) CYP2A6SLC5A2PIM1PIM3PIM2
SCHEMBL645165 0.70 CYP2A6 (0.40) CYP2A6PIM1PIM3PIM2ALDH1A1

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 10 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

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 CYP2A6 1930/4885SLC5A2 55/4885SLC5A1 130/4885

“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.