SCHEMBL3226464

SCHEMBL3226464

CN(C[C@@H](CC=O)c1ccc(F)cc1)C(=O)c1cc(C#N)cc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 4/20 0.46
TACR1 P25103 4/20 0.46
TACR3 P29371 4/20 0.46
NSD2 O96028 1/20 0.35
MCHR1 Q99705 3/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
OPRM1 P35372 1/20 0.31

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
SCHEMBL4260104 1.00 TACR2 (0.46) TACR2TACR1TACR3NSD2MCHR1
SCHEMBL4257657 0.93 TACR2 (0.48) TACR2TACR1TACR3CA1CA2
SCHEMBL4262926 0.92 TACR2 (0.46) TACR2TACR1TACR3NSD2MCHR1
SCHEMBL4257621 0.92 TACR2 (0.46) TACR2TACR1TACR3NSD2MCHR1
SCHEMBL7669440 0.91 TACR2 (0.47) TACR2TACR1TACR3MCHR1CA1
SCHEMBL7673234 0.91 TACR2 (0.49) TACR2TACR1TACR3MCHR1CA1
SCHEMBL6002594 0.88 TACR2 (0.48) TACR2TACR1TACR3CA1CA2
SCHEMBL6002109 0.87 TACR2 (0.59) TACR2TACR1TACR3
SCHEMBL4256214 0.87 TACR2 (0.59) TACR2TACR1TACR3
Acetic Acid SCHEMBL7692910 0.85 TACR2 (0.57) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069346-A1 New Azetidine Derivatives as Neurokinin Receptor Antagonists for the Treatment of Gastrointestinal Diseases ALBIREO AB (SE) 2010-03-18 US 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-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 (2 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-20100069346-A1 New Azetidine Derivatives as Neurokinin Receptor Antagonists for the Treatment of Gastrointestinal Diseases GIPR, HRH2, BDKRB2 TACR2 5/4885TACR1 8/4885TACR3 24/4885
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.