SCHEMBL4255229

SCHEMBL4255229

CN(CC(CCO)c1ccc(C#N)cc1)C(=O)c1cc(C#N)cc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 6/20 0.52
TACR1 P25103 5/20 0.52
TACR3 P29371 5/20 0.52
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
XDH P47989 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
HAT1 O14929 4/20 0.35
EP300 Q09472 4/20 0.35
RORC P51449 1/20 0.34
F2R P25116 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA9 Q16790 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL6002594 0.94 TACR2 (0.48) TACR2TACR1TACR3CA1CA2
SCHEMBL6002422 0.94 TACR2 (0.48) TACR2TACR1TACR3CA1CA2
SCHEMBL7666225 0.93 TACR2 (0.54) TACR2TACR1TACR3CA1CA2
SCHEMBL7668591 0.89 TACR2 (0.51) TACR2TACR1TACR3CA1CA2
SCHEMBL6668994 0.89 TACR2 (0.64) TACR2TACR1TACR3
SCHEMBL756430 0.89 TACR2 (0.64) TACR2TACR1TACR3
SCHEMBL4257657 0.87 TACR2 (0.48) TACR2TACR1TACR3CA1CA2
SCHEMBL4260104 0.81 TACR2 (0.46) TACR2TACR1TACR3CA1CA2
SCHEMBL7673234 0.81 TACR2 (0.49) TACR2TACR1TACR3CA1CA2
SCHEMBL3226464 0.81 TACR2 (0.46) TACR2TACR1TACR3CA1CA2

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 5 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
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 28/4885TACR3 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.