SCHEMBL6500627

SCHEMBL6500627

COCNC(=O)CCOC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
LMNA P02545 3/20 0.39
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
HTR1A P08908 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRNA7 P36544 1/20 0.39
ALOX15 P16050 1/20 0.37
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
RECQL P46063 1/20 0.34
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.30
HPGD P15428 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
SCHEMBL29114769 0.80 ALOX15 (0.39) TSHRLMNACHRM2CHRM4CHRM5
SCHEMBL8639742 0.79 TSHR (0.46) TSHRLMNARECQLKDM4EGAA
SCHEMBL28463146 0.77 KDM4E (0.46) TSHRLMNACHRM2CHRM4CHRM5
SCHEMBL28984124 0.77 ALOX15 (0.41) TSHRLMNACHRM2CHRM4CHRM5
SCHEMBL11505724 0.74 RECQL (0.58) TSHRRECQLGAAMEN1HPGD
SCHEMBL12404489 0.74 RECQL (0.37) TSHRRECQLGAA
SCHEMBL24070642 0.74 TSHR (0.64) TSHRLMNACYP2C19RECQLKDM4E
SCHEMBL15432819 0.73 TSHR (0.40) TSHRLMNARECQLKDM4EMEN1
SCHEMBL22356279 0.73 TSHR (0.55) TSHRLMNACHRM2CHRM4CHRM5
SCHEMBL17049333 0.73

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
US-6887871-B2 Use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2005-05-03 US disclosed
EP-1263711-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-12-15 EP disclosed
US-20030158185-A1 Novel use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2003-08-21 US disclosed
EP-1263711-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062704-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-30 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-20030158185-A1 Novel use of phenylheteroakylamine derivatives NOS1, XDH, NOS2 TSHR 2999/4885LMNA 1993/4885CHRM2 196/4885

“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.