SCHEMBL493662

SCHEMBL493662

CN(CC(CCN1CC(N2CCOCC2)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 19/20 1.00
TACR1 P25103 1/20 0.65

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
SCHEMBL9008733 0.82 TACR2 (0.83) TACR2TACR1
SCHEMBL5013628 0.82 TACR2 (0.69) TACR2TACR1
SCHEMBL5810226 0.82 TACR2 (0.69) TACR2TACR1
Acetic Acid SCHEMBL4256160 0.82 TACR2 (0.69) TACR2TACR1
SCHEMBL8292511 0.82 TACR2 (0.84) TACR2TACR1
SCHEMBL4609838 0.82 TACR2 (0.69) TACR2TACR1
SCHEMBL759334 0.82 TACR2 (0.82) TACR2TACR1
SCHEMBL6170809 0.82 TACR2 (0.82) TACR2TACR1
SCHEMBL4265273 0.81 TACR2 (0.68) TACR2
SCHEMBL7681036 0.81 TACR2 (0.73) TACR2

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 19 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 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-8106208-B2 Benzamide compounds that act as NK receptor antagonists ALBIREO AB (SE) 2012-01-31 US disclosed
EP-2024354-B1 1- [ (4- [BENZOYL (METHYL) AMINO]-3- (PHENYL) BUTYL]AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 ALBIREO AB (SE) 2011-09-21 EP 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-20100069346-A1 New Azetidine Derivatives as Neurokinin Receptor Antagonists for the Treatment of Gastrointestinal Diseases ALBIREO AB (SE) 2010-03-18 US disclosed
EP-1636221-B1 3-Heterocyclyl-Azetidine compounds useful as NK1/NK2 receptors antagonists ALBIREO AB (SE) 2009-08-12 EP disclosed
EP-2024354-A1 1- [ (4- [BENZOYL (METHYL) AMINO]-3- (PHENYL) BUTYL]AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 Albireo AB (SE) 2009-02-18 EP disclosed
US-7402581-B2 Azetidine compounds ALBIREO AB (SE) 2008-07-22 US disclosed
WO-2008076041-A1 AZETIDINAZABICYCLO [3.2.1] OCTAN DERIVATIVES THAT ARE NEUROKININ (NK) RECEPTOR ANTAGONISTS AND THEIR USE. ALBIREO AB (SE) 2008-06-26 WO disclosed
US-20080146538-A1 Compounds 614 ALBIREO AB (SE) 2008-06-19 US disclosed
WO-2007136325-A1 1- [ (4- [BENZOYL (METHYL) AMINO] -3- (PHENYL) BUTYL] AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 2 ASTRAZENECA AB (SE) 2007-11-29 WO disclosed
WO-2007136324-A1 1- [ (4- [BENZOYL (METHYL) AMINO] -3- (PHENYL) BUTYL] AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 ALBIREO AB (SE) 2007-11-29 WO disclosed
US-20070270398-A1 New Compounds III ALBIREO AB (SE) 2007-11-22 US disclosed
US-20070270400-A1 New compounds 303 ALBIREO AB (SE) 2007-11-22 US disclosed
US-20070270399-A1 New compounds 302 ALBIREO AB (SE) 2007-11-22 US disclosed
US-20060172988-A1 Azetidine compounds ALBIREO AB (SE) 2006-08-03 US disclosed
EP-1636221-A2 NEW AZETIDINE COMPOUNDS AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004110344-A2 NEW AZETIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-12-23 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 (7 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 TACR2 8/4885TACR1 6/4885
US-20100069346-A1 New Azetidine Derivatives as Neurokinin Receptor Antagonists for the Treatment of Gastrointestinal Diseases GIPR, HRH2, BDKRB2 TACR2 5/4885TACR1 8/4885
US-20070270400-A1 New compounds 303 CYP11B2, CYP11B1, SDHA TACR2 80/4885TACR1 155/4885
US-20080146538-A1 Compounds 614 CYP4A11, CYP4B1, CYP11B2 TACR2 169/4885TACR1 149/4885
US-20070270398-A1 New Compounds III CYP11B2, CYP11B1, SDHA TACR2 110/4885TACR1 154/4885
US-20070270399-A1 New compounds 302 CYP11B2, CYP11B1, CYP4B1 TACR2 54/4885TACR1 106/4885
US-20060172988-A1 Azetidine compounds HRH2, HRH4, HRH1 TACR2 19/4885TACR1 28/4885

“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.