SCHEMBL3889428

SCHEMBL3889428

O=C1CCN(CCNS(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.68
SIGMAR1 Q99720 6/20 0.55
KDM1A O60341 1/20 0.54
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
PKM P14618 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL6568486 0.86 SIGMAR1 (0.72) HTR7SIGMAR1KDM1AALDH1A1KDM4E
SCHEMBL4196782 0.84 SIGMAR1 (0.73) HTR7SIGMAR1KDM1AKDM4ELMNA
SCHEMBL17374138 0.83 HTR7 (0.66) HTR7SIGMAR1KDM1AALDH1A1KDM4E
SCHEMBL29172771 0.82 HTR7 (0.60) HTR7SIGMAR1KDM1AALDH1A1KDM4E
SCHEMBL3719058 0.82 PKM (0.69) HTR7ALDH1A1PKM
SCHEMBL12672472 0.80 HTR7 (0.83) HTR7ALDH1A1KDM4ELMNAPKM
SCHEMBL19048139 0.79 KDM1A (0.61) HTR7SIGMAR1KDM1AALDH1A1KDM4E
SCHEMBL3886047 0.79 KDM1A (0.61) HTR7SIGMAR1KDM1AALDH1A1KDM4E
SCHEMBL5198457 0.77 HTR7 (0.74) HTR7SIGMAR1ALDH1A1KDM4ELMNA
SCHEMBL4617661 0.74 SFRP1 (0.61) HTR7SIGMAR1ALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101395150-A Phenethanolamine derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-03-25 CN disclosed
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 HTR7 136/4885SIGMAR1 1619/4885KDM1A 2874/4885

“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.