SCHEMBL5013680

SCHEMBL5013680

CN(C[C@@H](CCN1CC(N2CCSCC2)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc(C#N)c1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 18/20 0.65
TACR1 P25103 1/20 0.52

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
Acetic Acid SCHEMBL4268508 0.98 TACR2 (0.65) TACR2TACR1
SCHEMBL6002529 0.85 TACR2 (0.68) TACR2TACR1
SCHEMBL5013640 0.85 TACR2 (0.68) TACR2TACR1
SCHEMBL5801564 0.84 TACR2 (0.67) TACR2TACR1
SCHEMBL5015249 0.84 TACR2 (0.67) TACR2TACR1
SCHEMBL5011807 0.84 TACR2 (0.66) TACR2TACR1
Acetic Acid SCHEMBL4268550 0.83 TACR2 (0.67) TACR2TACR1
Acetic Acid SCHEMBL6000659 0.83 TACR2 (0.65) TACR2TACR1
Acetic Acid SCHEMBL4262288 0.83 TACR2 (0.65) TACR2TACR1
SCHEMBL4258132 0.83 TACR2 (0.65) TACR2TACR1

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
WO-2006062478-A1 NOVEL TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2006-06-15 WO claimed
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
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 28/4885

“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.