SCHEMBL3631370

SCHEMBL3631370

O=C1C=C(N2CCOCC2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
USP2 O75604 1/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 2/20 0.46
TP53 P04637 1/20 0.46
STAT3 P40763 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.42
RAB9A P51151 2/20 0.42
APAF1 O14727 1/20 0.42
NPC1 O15118 1/20 0.42
TDP2 O95551 1/20 0.42
NSD2 O96028 1/20 0.42
GALK1 P51570 1/20 0.42
BLM P54132 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL11517565 0.85 MAPT (0.55) MAPTKMT2AMEN1USP2GAA
SCHEMBL9445166 0.81 MAPT (0.74) MAPTKMT2AMEN1USP2GAA
SCHEMBL18160868 0.79 MAPT (0.44) MAPTKMT2AMEN1USP2GAA
SCHEMBL19440103 0.79 MAPT (0.49) MAPTKMT2AMEN1USP2GAA
SCHEMBL3749456 0.77 MAPT (0.57) MAPTKMT2AMEN1USP2GAA
SCHEMBL23673651 0.77 MAPT (0.47) MAPTKMT2AMEN1USP2GAA
SCHEMBL12618676 0.77 ALDH1A1 (0.77) MAPTKMT2AMEN1USP2GAA
SCHEMBL30885476 0.76 KMT2A (0.39) MAPTKMT2AMEN1USP2GAA
SCHEMBL1432252 0.75 MAPT (0.55) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL3630511 0.75 MAPT (0.55) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1

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
US-20100305116-A1 Compounds Comprising a Cyclobutoxy Group UCB PHARMA, S.A. (BE) 2010-12-02 US claimed
EP-2146980-A2 HISTAMINE H3 RECEPTOR LIGANDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma S.A. (BE) 2010-01-27 EP claimed
WO-2008128919-A2 HISTAMINE H3 RECEPTOR LIGANDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA S.A. (BE) 2008-10-30 WO claimed
US-20100305116-A1 Compounds Comprising a Cyclobutoxy Group UCB PHARMA, S.A. (BE) 2010-12-02 US disclosed
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US disclosed
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US disclosed
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US disclosed
EP-2238144-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma, S.A. (BE) 2010-10-13 EP disclosed
EP-2150534-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2010-02-10 EP disclosed
EP-2146980-A2 HISTAMINE H3 RECEPTOR LIGANDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma S.A. (BE) 2010-01-27 EP disclosed
WO-2009092764-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-07-30 WO disclosed
WO-2009092764-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-07-30 WO disclosed
WO-2008131779-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2008-11-06 WO disclosed
WO-2008128919-A2 HISTAMINE H3 RECEPTOR LIGANDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA S.A. (BE) 2008-10-30 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-20100305116-A1 Compounds Comprising a Cyclobutoxy Group HMGCR, TECR, CYP4A11 MAPT 947/4885KMT2A 4650/4885MEN1 2861/4885
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group CYP11B2, CYP11B1, CYP4B1 MAPT 1028/4885KMT2A 4754/4885MEN1 967/4885

“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.