SCHEMBL3763872

SCHEMBL3763872

O=C(CO)N1CCN(C2CNC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HRH3 Q9Y5N1 7/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
AKR1C3 P42330 1/20 0.35

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
SCHEMBL3766487 0.83 CHRNB2 (0.55) KDM4EALDH1A1MEN1USP2LMNA
SCHEMBL3772648 0.82 MAPT (0.40) KDM4EALDH1A1USP2CYP3A4KMT2A
SCHEMBL3766758 0.81 CHRNB2 (0.47) KDM4EALDH1A1MEN1USP2LMNA
SCHEMBL16103589 0.78 KDM4E (0.37) KDM4EALDH1A1KMT2AHSD17B10HRH3
SCHEMBL6840205 0.76 CHRNB2 (0.50) KDM4EKMT2AHSD17B10TDP1CHRNB2
SCHEMBL10972781 0.76 ALDH1A1 (0.50) KDM4EALDH1A1MEN1USP2LMNA
SCHEMBL8642977 0.76
Hydrochloric Acid SCHEMBL3760127 0.74 CHRNB2 (0.48) KDM4EKMT2ATDP1CHRNB2CHRNB4
Hydrochloric Acid SCHEMBL5327246 0.74 CHRNB2 (0.48) KDM4EKMT2ATDP1CHRNB2CHRNB4
SCHEMBL13772800 0.74 L3MBTL3 (0.43) KDM4EALDH1A1MEN1KMT2ACHRNB2

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 16 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
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
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-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-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
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
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
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-2008076042-A1 AZETIDINPIPERAZINE DERIVATIVES THAT ARE NEUROKININ (NK) RECEPTOR ANTAGONISTS AND THEIR USE. ASTRAZENECA AB (SE) 2008-06-26 WO 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
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 KDM4E 1945/4885ALDH1A1 3556/4885MEN1 2396/4885

“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.