SCHEMBL5015235

SCHEMBL5015235

CN(C[C@@H](CCN1CC(N2CC[S+]([O-])CC2)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C#N)cc2c1CCCC2

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 17/20 0.52
TACR1 P25103 3/20 0.49
TACR3 P29371 2/20 0.49

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
SCHEMBL6000663 1.00 TACR2 (0.52) TACR2TACR1TACR3
Acetic Acid SCHEMBL4413705 0.98 TACR2 (0.52) TACR2TACR1TACR3
SCHEMBL5820004 0.91 TACR2 (0.52) TACR2TACR1TACR3
SCHEMBL5015162 0.91 TACR2 (0.52) TACR2TACR1TACR3
SCHEMBL5012903 0.90 TACR2 (0.40) TACR2TACR1TACR3
Acetic Acid SCHEMBL4261883 0.89 TACR2 (0.52) TACR2TACR1TACR3
Acetic Acid SCHEMBL4260007 0.88 TACR2 (0.40) TACR2TACR1TACR3
SCHEMBL4259543 0.86 TACR2 (0.66) TACR2TACR1TACR3
SCHEMBL13754710 0.82 TACR2 (0.33) TACR2TACR1TACR3
SCHEMBL4410645 0.81 TACR2 (0.42) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.