SCHEMBL3229984

SCHEMBL3229984

CN(C[C@@H](CC=O)c1ccc(F)cc1)C(=O)c1cc(C#N)cc2c1CCCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.36
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
MCHR1 Q99705 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC6A4 P31645 1/20 0.32
NLRP3 Q96P20 1/20 0.32
SLC1A2 P43004 1/20 0.32
KCNH2 Q12809 1/20 0.32
TACR2 P21452 1/20 0.32
TACR1 P25103 1/20 0.32
TACR3 P29371 1/20 0.32
TBXA2R P21731 1/20 0.31
PTGDR Q13258 1/20 0.31
EPHX2 P34913 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
PDPK1 O15530 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
SCHEMBL6002296 1.00 NSD2 (0.36) NSD2XDHSLC22A12MCHR1LMNA
SCHEMBL4262995 0.98 XDH (0.35) NSD2XDHSLC22A12MCHR1LMNA
SCHEMBL4261305 0.92 NSD2 (0.36) NSD2XDHSLC22A12MCHR1LMNA
SCHEMBL6002181 0.92 NSD2 (0.36) NSD2XDHSLC22A12MCHR1LMNA
SCHEMBL4262594 0.90 XDH (0.35) NSD2XDHSLC22A12MCHR1LMNA
SCHEMBL4260457 0.89 XDH (0.32) NSD2XDHSLC22A12NLRP3SLC1A2
SCHEMBL6002190 0.89 XDH (0.32) NSD2XDHSLC22A12NLRP3SLC1A2
SCHEMBL4261921 0.89 MEN1 (0.34) MEN1HTTKMT2ACXCR5
SCHEMBL6002881 0.89 MEN1 (0.34) MEN1HTTKMT2ACXCR5
SCHEMBL4261247 0.89 NSD2 (0.33) NSD2XDHSLC22A12NLRP3

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 9 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
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 NSD2 2090/4885XDH 1745/4885SLC22A12 2108/4885
US-20060172988-A1 Azetidine compounds HRH2, HRH4, HRH1 NSD2 1582/4885XDH 604/4885SLC22A12 2207/4885

“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.