SCHEMBL4256311

SCHEMBL4256311

CN(CC(CCN1CC(N2CCSCC2)C1)c1ccc(F)cc1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 15/20 0.49
TACR1 P25103 1/20 0.44
KCNH2 Q12809 1/20 0.39
CCR2 P41597 1/20 0.39
CCR5 P51681 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
SCHEMBL4256226 0.91 TACR2 (0.49) TACR2TACR1KCNH2CCR2
SCHEMBL5798549 0.91 TACR2 (0.51) TACR2TACR1KCNH2CCR5
SCHEMBL4258295 0.91 TACR2 (0.51) TACR2TACR1KCNH2CCR5
SCHEMBL5800599 0.90 TACR2 (0.50) TACR2TACR1KCNH2CCR5
SCHEMBL4257153 0.90 TACR2 (0.50) TACR2TACR1KCNH2CCR5
SCHEMBL5809127 0.89 TACR2 (0.63) TACR2TACR1
SCHEMBL4263071 0.89 TACR2 (0.63) TACR2TACR1
SCHEMBL4256282 0.88 TACR2 (0.47) TACR2TACR1KCNH2CCR2
Acetic Acid SCHEMBL5013598 0.87 TACR2 (0.63) TACR2TACR1
SCHEMBL4255126 0.87 TACR2 (0.50) TACR2TACR1KCNH2CCR2

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 13 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 claimed
US-7402581-B2 Azetidine compounds ALBIREO AB (SE) 2008-07-22 US claimed
US-20060172988-A1 Azetidine compounds ALBIREO AB (SE) 2006-08-03 US claimed
WO-2006062478-A1 NOVEL TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2006-06-15 WO claimed
EP-1636221-A2 NEW AZETIDINE COMPOUNDS AstraZeneca AB (SE) 2006-03-22 EP claimed
WO-2004110344-A2 NEW AZETIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-12-23 WO claimed
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
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 28/4885KCNH2 46/4885

“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.