SCHEMBL4259967

SCHEMBL4259967

CN1CCN(C2CN(CC[C@H](CN(C)C(=O)c3cc(C#N)cc4ccccc34)c3ccc(Cl)c(Cl)c3)C2)CC1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 19/20 0.69
TACR1 P25103 4/20 0.69
TACR3 P29371 4/20 0.69

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
SCHEMBL5802711 1.00 TACR2 (0.69) TACR2TACR1TACR3
SCHEMBL6002275 0.94 TACR2 (0.67) TACR2TACR1TACR3
SCHEMBL5809685 0.94 TACR2 (0.67) TACR2TACR1TACR3
SCHEMBL5015184 0.94 TACR2 (0.67) TACR2TACR1TACR3
SCHEMBL5809311 0.94 TACR2 (0.67) TACR2TACR1TACR3
SCHEMBL5013769 0.94 TACR2 (0.67) TACR2TACR1TACR3
SCHEMBL5015185 0.94 TACR2 (0.67) TACR2TACR1TACR3
SCHEMBL4256192 0.93 TACR2 (0.68) TACR2TACR1TACR3
SCHEMBL5016425 0.93 TACR2 (0.69) TACR2TACR1TACR3
SCHEMBL5801564 0.93 TACR2 (0.67) TACR2TACR1TACR3

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 8 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
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
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 (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.