SCHEMBL3766385

SCHEMBL3766385

CN(C[C@@H](CCN1CC(N2CCN(C(=O)C3CC3)CC2)C1)c1ccc(F)cc1)C(=O)c1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 18/20 0.44
TACR1 P25103 2/20 0.38

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
Hydrochloric Acid SCHEMBL3766672 0.99 TACR2 (0.43) TACR2TACR1
SCHEMBL493745 0.94 TACR2 (0.43) TACR2TACR1
SCHEMBL3761709 0.93 TACR2 (0.45) TACR2TACR1
SCHEMBL493759 0.92 TACR2 (0.49) TACR2TACR1
Hydrochloric Acid SCHEMBL3773045 0.92 TACR2 (0.44) TACR2TACR1
SCHEMBL3764734 0.92 TACR2 (0.45) TACR2TACR1
SCHEMBL5028804 0.92 TACR2 (0.45) TACR2TACR1
SCHEMBL3771236 0.90 TACR2 (0.44) TACR2TACR1
SCHEMBL3766893 0.90 TACR2 (0.44) TACR2TACR1
Hydrochloric Acid SCHEMBL3776356 0.90 TACR2 (0.44) TACR2TACR1

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 9 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-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 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-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-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
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 TACR2 8/4885TACR1 6/4885

“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.