SCHEMBL4265205

SCHEMBL4265205

O=C(O)NCC[C@@H](CCN1CC(N2CCC(O)CC2)C1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 8/20 0.55
MCHR1 Q99705 12/20 0.51

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
SCHEMBL4265276 0.92 TACR2 (0.55) TACR2MCHR1
SCHEMBL4258141 0.88 TACR2 (0.53) TACR2MCHR1
SCHEMBL4261264 0.85 KCNA3 (0.38) TACR2
SCHEMBL4265200 0.84 TACR2 (0.68) TACR2
SCHEMBL5013720 0.83 MCHR1 (0.52) TACR2MCHR1
SCHEMBL6002420 0.83 MCHR1 (0.52) TACR2MCHR1
Hydrochloric Acid SCHEMBL4256200 0.82 MCHR1 (0.51) TACR2MCHR1
SCHEMBL4265273 0.77 TACR2 (0.68) TACR2
SCHEMBL5016489 0.76 TACR2 (0.49) TACR2MCHR1
SCHEMBL5802168 0.75 TACR2 (0.65) TACR2

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 3 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-20060172988-A1 Azetidine compounds ALBIREO AB (SE) 2006-08-03 US 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 19/4885MCHR1 698/4885

“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.