SCHEMBL672731

SCHEMBL672731

O=Cc1cn(C2CC2)c2cccc(-c3ccc(F)cc3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
RIPK2 O43353 1/20 0.37
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
HTR6 P50406 1/20 0.34
CYP11B2 P19099 1/20 0.33
MAPK14 Q16539 2/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
DAPK3 O43293 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32

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
SCHEMBL672222 0.84 GRM5 (0.33) RIPK2HTR6DYRK1ADYRK1B
SCHEMBL672439 0.80 CTSL (0.35) HTR6
SCHEMBL671892 0.79 SMN1; SMN2 (0.41) ALDH1A1HTTSMN1; SMN2POLBMAPK14
SCHEMBL671598 0.79 ALDH1A1 (0.49) ALDH1A1HTTSMN1; SMN2POLBMAPK14
SCHEMBL672431 0.75 ALDH1A1 (0.38) ALDH1A1HTTSMN1; SMN2POLBMAPK14
SCHEMBL671667 0.75 CYP2A6 (0.40) ALDH1A1HTR6
SCHEMBL671676 0.74 ALDH1A1 (0.31) ALDH1A1HTR6
SCHEMBL2359029 0.67 ERN1 (0.44) ALDH1A1HTTSMN1; SMN2POLBMAPK14
SCHEMBL2222606 0.65 XDH (0.51) ALDH1A1HTTSMN1; SMN2POLBDRD2
SCHEMBL3221124 0.65 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2NTRK1KDRMAPK9

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 5 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
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
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 ALDH1A1 1467/4885RIPK2 2450/4885HTT 2735/4885

“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.