SCHEMBL3884485

SCHEMBL3884485

O=C1CCN(CCCOCCc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.62
SIGMAR1 Q99720 1/20 0.51
GRIN2B Q13224 2/20 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
SCHEMBL3892994 0.94 HRH3 (0.54) HRH3SIGMAR1GRIN2B
Methyl Alcohol SCHEMBL27755634 0.90 HRH3 (0.50) HRH3SIGMAR1
SCHEMBL3891265 0.87 TEAD3 (0.60) HRH3SIGMAR1
SCHEMBL7246438 0.87 TEAD3 (0.60) HRH3SIGMAR1
SCHEMBL6725705 0.86 HRH3 (0.49) HRH3SIGMAR1
SCHEMBL3959376 0.84 SIGMAR1 (0.72) SIGMAR1GRIN2B
SCHEMBL7845393 0.84 SLC6A3 (0.56) HRH3SIGMAR1
SCHEMBL6705256 0.83 SIGMAR1 (0.67) SIGMAR1GRIN2B
SCHEMBL6944485 0.82 TEAD3 (0.55) HRH3
SCHEMBL8108121 0.82 TEAD3 (0.55) HRH3

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 HRH3 21/4885SIGMAR1 1619/4885GRIN2B 974/4885

“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.