SCHEMBL3887322

SCHEMBL3887322

NCC1(O)CCN(CCCCOc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
KMT2A Q03164 1/20 0.60
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL6207790 0.81 GRIN2D (0.57) ALDH1A1MEN1LMNAKMT2AKDM4E
SCHEMBL3884461 0.78 TEAD3 (0.54) ALDH1A1MEN1LMNAKMT2AKDM4E
SCHEMBL3885526 0.78 LTA4H (0.56) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL11717047 0.77 ALDH1A1 (0.74) ALDH1A1MEN1LMNAKMT2AKDM4E
SCHEMBL491672 0.77 HRH3 (0.79) ALDH1A1KDM4ESMN1; SMN2HRH3
SCHEMBL6207626 0.76 GRIN2D (0.65)
SCHEMBL17848492 0.76 DRD2 (0.72) ALDH1A1MEN1LMNAKMT2A
SCHEMBL492176 0.76 HRH3 (0.79) ALDH1A1KDM4ESMN1; SMN2HRH3
SCHEMBL491550 0.76 HRH3 (0.79) ALDH1A1KDM4ESMN1; SMN2HRH3
SCHEMBL15920898 0.76 HRH3 (0.82) ALDH1A1KDM4ESMN1; SMN2HRH3

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 ALDH1A1 2322/4885MEN1 1450/4885LMNA 853/4885

“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.