SCHEMBL3885968

SCHEMBL3885968

CC(C)(C)OC(=O)CCCN1CCC(C=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.35
EPHX2 P34913 1/20 0.34
CHRM2 P08172 3/20 0.34
HTR1A P08908 3/20 0.34
ADRA2A P08913 3/20 0.34
ADRA1A P35348 3/20 0.34
DRD3 P35462 3/20 0.34
DRD1 P21728 2/20 0.34
KCNH2 Q12809 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
OPRM1 P35372 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
DRD2 P14416 3/20 0.33
DRD4 P21917 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
ADRA2B P18089 2/20 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
SCHEMBL12813597 0.91 SMN1; SMN2 (0.43) HTR4SMN1; SMN2KMT2AHRH3HTT
SCHEMBL25634866 0.83 PAOX (0.42) HTR4SMN1; SMN2EPHX2HTR1ADRD2
SCHEMBL4298106 0.82 WNT1 (0.37) HTR4MEN1KMT2ANPC1RAB9A
SCHEMBL4130481 0.81 HTR4 (0.46) HTR4SMN1; SMN2EPHX2CHRM2HTR1A
SCHEMBL24922242 0.80 DRD2 (0.51) MEN1KMT2ADRD2ACHESIGMAR1
SCHEMBL24269226 0.79 HTR4 (0.40) HTR4SMN1; SMN2EPHX2CHRM2HTR1A
SCHEMBL22181263 0.79 CCR5 (0.35) MEN1KMT2ADRD2ACHE
SCHEMBL25369363 0.79 CYP1A2 (0.55) HTR4SMN1; SMN2HTR1AADRA2AKCNH2
SCHEMBL23860192 0.77 USP2 (0.46) SMN1; SMN2EPHX2CHRM2CHRM1CHRM4
SCHEMBL21233640 0.77 ALDH1A1 (0.51) SMN1; SMN2KCNH2MEN1KMT2AHRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-01-29 US disclosed
EP-2013197-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2009-01-14 EP disclosed
WO-2007102771-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-13 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-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRA2A HTR4 146/4885SMN1; SMN2 4328/4885EPHX2 218/4885

“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.