SCHEMBL5279071

SCHEMBL5279071

C#CCCOCCCCCCN(Cc1ccccc1)C[C@H](O)c1ccc(OCc2ccccc2)c(C(N)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR1H3 Q13133 5/20 0.37
▸ MAOB P27338 8/20 0.37
▸ ADRB2 P07550 2/20 0.35
▸ ADRB1 P08588 2/20 0.35
▸ ADRB3 P13945 2/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAOA P21397 4/20 0.34
▸ PARP1 P09874 1/20 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
SCHEMBL5279069 0.86 ADRB2 (0.38) MAOBADRB2ADRB1ADRB3MAOA
SCHEMBL9574255 0.83 FOLH1 (0.41) MAOBADRB2ADRB1ADRB3ADRA1D
SCHEMBL11571707 0.82 MEN1 (0.40) NR1H3MAOBADRB2ADRB1ADRB3
SCHEMBL3978402 0.82 ADRA1D (0.45) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL4627389 0.80 ADRB2 (0.47) ADRB2ADRB1ADRB3
SCHEMBL10464521 0.77 ADRB2 (0.46) NR1H3ADRB2ADRB1ADRB3ADRA1D
SCHEMBL10766081 0.77 ADRB2 (0.38) MAOBADRB2ADRB1ADRB3ADRA1D
SCHEMBL10465045 0.76 ADRB2 (0.42) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL10463962 0.76 MRGPRX4 (0.40) NR1H3MAOBADRB2ADRB1ADRB3
SCHEMBL11670452 0.76 MEN1 (0.39) NR1H3MAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370521-B1 FORMANILIDE DERIVATIVES AS BETA2-ADRENORECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2007-12-19 — — EP disclosed
US-7045658-B2 prophylaxis and treatment of respiratory diseases; phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 2006-05-16 — — US disclosed
US-20040157830-A1 Formailide derivatives as beta2-adrenoreceptor agonists GLAXO GROUP LIMITED (GB) 2004-08-12 — — US disclosed
WO-2004039762-A1 PHENETHANOLAMINE DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-05-13 — — WO disclosed
EP-1370521-A1 FORMANILIDE DERIVATIVES AS BETA2-ADRENORECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2003-12-17 — — EP disclosed
WO-2002076933-A1 FORMAILIDE DERIVATIVES AS BETA2-ADRENORECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2002-10-03 — — 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-20040157830-A1 Formailide derivatives as beta2-adrenoreceptor agonists ADRB2, ADRB1, ADRA2A NR1H3 187/4885MAOB 788/4885ADRB2 1/4885

“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.

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