SCHEMBL3772648

SCHEMBL3772648

COCC(=O)N1CCN(C2CNC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 3/20 0.39
ORAI1 Q96D31 1/20 0.39
CYP1A2 P05177 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
ACHE P22303 2/20 0.36
CYP2D6 P10635 4/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36
USP2 O75604 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
SCHEMBL3763872 0.82 KDM4E (0.41) ACACBACACAALDH1A1KMT2AKDM4E
SCHEMBL3766487 0.81 CHRNB2 (0.55) ACACBACACAALDH1A1KMT2ATSHR
SCHEMBL16488062 0.80 ACHE (0.40) MAPTACACBACACAALDH1A1KMT2A
SCHEMBL8402970 0.80 ALDH1A1 (0.51) MAPTALDH1A1KMT2ATSHRCYP1A2
SCHEMBL14010813 0.80
SCHEMBL3766758 0.79 CHRNB2 (0.47) MAPTACACBACACAALDH1A1KMT2A
SCHEMBL4737022 0.77 CHRNB2 (0.55) MAPTACACBACACAALDH1A1KMT2A
SCHEMBL15907021 0.76 ALDH1A1 (0.43) MAPTACACBACACAALDH1A1KDM4E
SCHEMBL12026507 0.76 ACACB (0.38) MAPTACACBACACAALDH1A1KMT2A
Hydrochloric Acid SCHEMBL4737835 0.76 CHRNB2 (0.53) MAPTACACBACACAALDH1A1KMT2A

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 15 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-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 MAPT 4784/4885ACACB 4602/4885ACACA 4419/4885

“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.