SCHEMBL3772656

SCHEMBL3772656

O=C(C1CC1)N1CCN(C2CN(C(c3ccccc3)c3ccccc3)C2)CC1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.74
CNR1 P21554 5/20 0.65
CNR2 P34972 5/20 0.65
NPSR1 Q6W5P4 4/20 0.53
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HTT P42858 2/20 0.53
KMT2A Q03164 2/20 0.48
L3MBTL3 Q96JM7 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAOB P27338 1/20 0.47
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL493765 0.90 ALDH1A1 (0.63) ALDH1A1CNR1CNR2NPSR1MAPT
SCHEMBL494586 0.86 ALDH1A1 (0.59) ALDH1A1CNR1CNR2NPSR1MAPT
SCHEMBL16099153 0.86 KMT2A (0.53) ALDH1A1CNR1CNR2NPSR1MAPT
SCHEMBL6843065 0.83 KMT2A (0.70) ALDH1A1CNR1CNR2NPSR1MAPT
SCHEMBL3771250 0.83 CACNA2D1 (0.53) ALDH1A1KDM4EKMT2A
SCHEMBL692922 0.82 MAOB (0.71) ALDH1A1NPSR1KDM4EKMT2AL3MBTL3
SCHEMBL3773398 0.82 FASN (0.54) ALDH1A1CNR1CNR2NPSR1KDM4E
SCHEMBL493687 0.82 L3MBTL1 (0.51) ALDH1A1CNR1CNR2NPSR1MAPT
SCHEMBL5136398 0.81 KMT2A (0.52) ALDH1A1CNR1CNR2NPSR1MAPT
SCHEMBL3766753 0.81 KMT2A (0.51) ALDH1A1CNR1CNR2NPSR1MAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940845-B1 NOVEL AZETIDINE COMPOUNDS USEFUL IN THE TREATMENT OF FUNCTIONAL GASTROINTESTINAL DISORDERS, IBS AND FUNCTIONAL DYSPEPSIA ALBIREO AB (SE) 2013-06-12 EP claimed
US-20100311713-A1 Novel Azetidine Compounds Useful in the Treatment of Functional Gastrointestinal Disorders, Ibs and Functional Dyspepsia ASTRAZENECA AB (SE) 2010-12-09 US claimed
CN-101316846-A Novel azetidine compounds useful in the treatment of functional gastrointestinal disorders, IBS and functional dyspepsia ASTRAZENECA AB (SE) 2008-12-03 CN claimed
EP-1940845-A1 NOVEL AZETIDINE COMPOUNDS USEFUL IN THE TREATMENT OF FUNCTIONAL GASTROINTESTINAL DISORDERS, IBS AND FUNCTIONAL DYSPEPSIA Astra Zeneca AB (SE) 2008-07-09 EP claimed
WO-2007037743-A1 NOVEL AZETIDINE COMPOUNDS USEFUL IN THE TREATMENT OF FUNCTIONAL GASTROINTESTINAL DISORDERS, IBS AND FUNCTIONAL DYSPEPSIA ASTRAZENECA AB (SE) 2007-04-05 WO claimed
EP-1940845-B1 NOVEL AZETIDINE COMPOUNDS USEFUL IN THE TREATMENT OF FUNCTIONAL GASTROINTESTINAL DISORDERS, IBS AND FUNCTIONAL DYSPEPSIA ALBIREO AB (SE) 2013-06-12 EP disclosed
US-8288370-B2 Substituted azetidine compounds of formula (I) useful in the treatment of functional gastrointestinal disorders, IBS, and functional dyspepsia ALBIREO AB (SE) 2012-10-16 US disclosed
US-20100311713-A1 Novel Azetidine Compounds Useful in the Treatment of Functional Gastrointestinal Disorders, Ibs and Functional Dyspepsia ASTRAZENECA AB (SE) 2010-12-09 US disclosed
CN-101316846-A Novel azetidine compounds useful in the treatment of functional gastrointestinal disorders, IBS and functional dyspepsia ASTRAZENECA AB (SE) 2008-12-03 CN disclosed
EP-1940845-A1 NOVEL AZETIDINE COMPOUNDS USEFUL IN THE TREATMENT OF FUNCTIONAL GASTROINTESTINAL DISORDERS, IBS AND FUNCTIONAL DYSPEPSIA Astra Zeneca AB (SE) 2008-07-09 EP disclosed
WO-2007037743-A1 NOVEL AZETIDINE COMPOUNDS USEFUL IN THE TREATMENT OF FUNCTIONAL GASTROINTESTINAL DISORDERS, IBS AND FUNCTIONAL DYSPEPSIA ASTRAZENECA AB (SE) 2007-04-05 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-20100311713-A1 Novel Azetidine Compounds Useful in the Treatment of Functional Gastrointestinal Disorders, Ibs and Functional Dyspepsia NISCH, BDKRB2, VIP ALDH1A1 3556/4885CNR1 359/4885CNR2 239/4885

“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.