SCHEMBL3885526

SCHEMBL3885526

NCC1(O)CCN(CCOCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.56
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
TEAD3 Q99594 2/20 0.47
SIGMAR1 Q99720 3/20 0.45
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
MAPT P10636 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40

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
SCHEMBL3884461 0.95 TEAD3 (0.54) LTA4HMEN1GAAKMT2ATEAD3
SCHEMBL10513153 0.81 SLC6A3 (0.56) SIGMAR1SLC6A3
SCHEMBL19557301 0.80 LTA4H (0.75) LTA4HMEN1GAAKMT2ATEAD3
SCHEMBL26981197 0.80 LTA4H (0.75) LTA4HMEN1GAAKMT2ATEAD3
SCHEMBL19948056 0.80 LTA4H (0.61) LTA4HMEN1GAAKMT2ATEAD3
SCHEMBL29284779 0.79 TEAD3 (0.54) LTA4HMEN1GAAKMT2ATEAD3
SCHEMBL27755847 0.78 LTA4H (0.39) LTA4HMEN1GAAKMT2ATEAD3
SCHEMBL3887322 0.78 ALDH1A1 (0.60) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL1314774 0.77 OPRL1 (0.63) MEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL29447351 0.77 LTA4H (0.87) LTA4HMEN1GAAKMT2ASIGMAR1

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 LTA4H 470/4885MEN1 1450/4885GAA 4107/4885

“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.