SCHEMBL671892

SCHEMBL671892

O=Cc1cn(CC2CC2)c2cccc(-c3ccc(F)cc3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.41
ALDH1A1 P00352 7/20 0.41
HTT P42858 4/20 0.41
ICMT O60725 2/20 0.39
KCNH2 Q12809 2/20 0.39
GRM2 Q14416 1/20 0.39
POLB P06746 1/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
DYRK1A Q13627 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR1 P21554 2/20 0.35
KDM4E B2RXH2 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
SCHEMBL672731 0.79 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1HTTPOLBMAPK13
SCHEMBL671598 0.76 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1HTTPOLBMAPK14
SCHEMBL672431 0.75 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1HTTPOLBMAPK14
SCHEMBL29071729 0.71 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1HTTPOLBLMNA
SCHEMBL24437324 0.67 NPC1 (0.39) SMN1; SMN2ALDH1A1HTTKCNH2GRM2
SCHEMBL29071736 0.66 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1HTTPOLBLMNA
SCHEMBL29071733 0.65 CNR1 (0.53) SMN1; SMN2ALDH1A1HTTPOLBLMNA
SCHEMBL672222 0.65 GRM5 (0.33) DYRK1A
SCHEMBL18860922 0.65 AXL (0.44) SMN1; SMN2ALDH1A1POLBCNR1KDM4E
SCHEMBL2359029 0.65 ERN1 (0.44) SMN1; SMN2ALDH1A1HTTPOLBLMNA

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 SMN1; SMN2 3345/4885ALDH1A1 1467/4885HTT 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.