SCHEMBL4264358

SCHEMBL4264358

CN(C[C@@H](CC=O)c1ccc(F)cc1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.57
CCR2 P41597 1/20 0.41
GPBAR1 Q8TDU6 12/20 0.39

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
SCHEMBL10019606 0.94 TACR1 (0.50) TACR1CCR2GPBAR1
SCHEMBL5435321 0.93 TACR1 (0.49) TACR1CCR2GPBAR1
SCHEMBL5327531 0.93 TACR1 (0.49) TACR1CCR2GPBAR1
SCHEMBL493659 0.93 TACR1 (0.49) TACR1CCR2GPBAR1
SCHEMBL4259182 0.93 TACR1 (0.49) TACR1CCR2GPBAR1
SCHEMBL14136104 0.92 TACR1 (0.48) TACR1CCR2GPBAR1
SCHEMBL28185894 0.90 TACR1 (0.48) TACR1
SCHEMBL4258143 0.90 TACR1 (0.56) TACR1CCR2GPBAR1
SCHEMBL8099839 0.86 TACR1 (0.54) TACR1
SCHEMBL8582371 0.86 TACR1 (0.54) TACR1

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 7 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-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 TACR1 28/4885CCR2 821/4885GPBAR1 1262/4885

“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.