SCHEMBL4262575

SCHEMBL4262575

O=S1(=O)CCN(C2CN(C(c3ccccc3)c3ccccc3)C2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CHRM2 P08172 2/20 0.45
ADRA2A P08913 2/20 0.45
CHRM1 P11229 2/20 0.45
DRD1 P21728 2/20 0.45
OPRM1 P35372 2/20 0.45
DRD3 P35462 2/20 0.45
SLC6A3 Q01959 2/20 0.45
KCNH2 Q12809 2/20 0.45
CYP2D6 P10635 2/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM3 P20309 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HRH1 P35367 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL3263017 0.82 L3MBTL3 (0.72) L3MBTL3L3MBTL1CHRM2ADRA2ACHRM1
SCHEMBL3069120 0.82 L3MBTL3 (0.67) L3MBTL3L3MBTL1CHRM2ADRA2ACHRM1
SCHEMBL5745494 0.81 CHRM2 (0.66) L3MBTL3L3MBTL1CHRM2ADRA2ACHRM1
SCHEMBL6840171 0.80 L3MBTL3 (0.70) L3MBTL3L3MBTL1CHRM2ADRA2ACHRM1
SCHEMBL3311978 0.80 L3MBTL3 (0.70) L3MBTL3L3MBTL1CHRM2ADRA2ACHRM1
SCHEMBL6948721 0.78 L3MBTL3 (0.53) L3MBTL3L3MBTL1CHRM2ADRA2ACHRM1
SCHEMBL4257542 0.78 L3MBTL3 (0.53) L3MBTL3L3MBTL1CHRM2ADRA2ACHRM1
SCHEMBL693969 0.78 KMT2A (0.66) L3MBTL3L3MBTL1CYP2D6KMT2AMEN1
SCHEMBL7467378 0.78 L3MBTL3 (0.57) L3MBTL3L3MBTL1CHRM2ADRA2ACHRM1
SCHEMBL16099153 0.77 KMT2A (0.53) L3MBTL3L3MBTL1KMT2AMEN1ALDH1A1

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 L3MBTL3 4858/4885L3MBTL1 4844/4885CHRM2 101/4885

“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.