SCHEMBL4256852

SCHEMBL4256852

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.33
HDAC6 Q9UBN7 1/20 0.31
RAB9A P51151 1/20 0.31
PRCP P42785 1/20 0.30
KCNH2 Q12809 1/20 0.30
TACR2 P21452 1/20 0.30

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
SCHEMBL6002205 1.00 TACR1 (0.33) TACR1HDAC6RAB9APRCPKCNH2
SCHEMBL4256188 0.92 TACR1 (0.36) TACR1HDAC6TACR2
SCHEMBL27649466 0.91 TACR1 (0.34) TACR1HDAC6RAB9APRCPKCNH2
SCHEMBL4262915 0.91 TACR1 (0.34) TACR1HDAC6RAB9APRCPKCNH2
SCHEMBL3766497 0.86 TACR1 (0.48) TACR1HDAC6
SCHEMBL493651 0.86 TACR1 (0.48) TACR1HDAC6
SCHEMBL6002099 0.82 TACR1 (0.37) TACR1HDAC6RAB9ATACR2
SCHEMBL3226841 0.82 TACR1 (0.37) TACR1HDAC6RAB9ATACR2
SCHEMBL4261669 0.81 TACR1 (0.36) TACR1RAB9ATACR2
SCHEMBL4258143 0.80 TACR1 (0.56) TACR1TACR2

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 TACR1 28/4885HDAC6 1956/4885RAB9A 306/4885

“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.