SCHEMBL4266545

SCHEMBL4266545

CN(C[C@@H](CCN1CC(N2CCOCC2)C1)c1ccc(F)cc1)C(=O)c1cc(C#N)cc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 18/20 0.54
TACR1 P25103 5/20 0.54
TACR3 P29371 5/20 0.54
PRCP P42785 1/20 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
SCHEMBL5798690 1.00 TACR2 (0.54) TACR2TACR1TACR3PRCP
SCHEMBL4256233 0.91 TACR2 (0.54) TACR2TACR1TACR3
SCHEMBL5810226 0.90 TACR2 (0.69) TACR2TACR1TACR3
SCHEMBL5013628 0.90 TACR2 (0.69) TACR2TACR1TACR3
SCHEMBL5011837 0.90 TACR2 (0.53) TACR2TACR1TACR3
Acetic Acid SCHEMBL4262955 0.88 TACR2 (0.52) TACR2TACR1TACR3
Acetic Acid SCHEMBL4256160 0.88 TACR2 (0.69) TACR2TACR1TACR3
SCHEMBL5137068 0.87 TACR2 (0.53) TACR2TACR1TACR3
SCHEMBL5013875 0.86 TACR2 (0.56) TACR2TACR1TACR3
SCHEMBL5814301 0.85 TACR2 (0.50) TACR2TACR1TACR3PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636221-B1 3-Heterocyclyl-Azetidine compounds useful as NK1/NK2 receptors antagonists ALBIREO AB (SE) 2009-08-12 EP disclosed
US-7402581-B2 Azetidine compounds ALBIREO AB (SE) 2008-07-22 US disclosed
US-7402581-B2 Azetidine compounds ALBIREO AB (SE) 2008-07-22 US disclosed
US-7402581-B2 Azetidine compounds ALBIREO AB (SE) 2008-07-22 US disclosed
US-20060172988-A1 Azetidine compounds ALBIREO AB (SE) 2006-08-03 US disclosed
WO-2006062478-A1 NOVEL TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2006-06-15 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-20060172988-A1 Azetidine compounds HRH2, HRH4, HRH1 TACR2 19/4885TACR1 28/4885TACR3 74/4885

“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.