SCHEMBL3978396

SCHEMBL3978396

O=CNc1cc([C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL14752729 0.89 BCHE (0.40) ADRB2MEN1KMT2A
SCHEMBL11817531 0.88 ALDH1A1 (0.42) ADRB2TDP1ADRB1ADRB3BRD4
SCHEMBL11820069 0.87 ADRB2 (0.40) ADRB2MEN1KMT2ATDP1L3MBTL1
SCHEMBL7798917 0.86 ADRB2 (0.45) ADRB2TDP1L3MBTL1ADRB1ADRB3
SCHEMBL719851 0.86 ADRB2 (0.45) ADRB2TDP1L3MBTL1ADRB1ADRB3
SCHEMBL274550 0.86 ADRB2 (0.45) ADRB2TDP1L3MBTL1ADRB1ADRB3
SCHEMBL30341869 0.86 ADRB2 (0.45) ADRB2TDP1L3MBTL1ADRB1ADRB3
SCHEMBL3070143 0.86 APP (0.40) ADRB2MEN1KMT2AADRB1ADRB3
SCHEMBL6074837 0.85 ADRB3 (0.50) ADRB2ADRB3
SCHEMBL11819250 0.85 ADRB2 (0.39) ADRB2ADRB1ADRB3BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538127-B2 Medicinal compounds GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-1554264-B1 MEDICINAL ARYLETHANOLAMINE COMPOUNDS GLAXO GROUP LTD (GB) 2007-08-08 EP disclosed
US-20060205790-A1 Medicinal arylethanolamine compounds GLAXO GROUP LIMITED (GB) 2006-09-14 US disclosed
US-20060148771-A1 Medicinal compounds GLAXO GROUP LIMITED (GB) 2006-07-06 US disclosed
EP-1592656-A2 MEDICINAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-11-09 EP disclosed
EP-1554264-A2 MEDICINAL ARYLETHANOLAMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-07-20 EP disclosed
WO-2004071388-A2 MEDICINAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-08-26 WO disclosed
WO-2004037807-A9 MEDICINAL ARYLETHANOLAMINE COMPOUNDS GLAXO GROUP LTD (GB) 2004-08-19 WO disclosed
WO-2004037807-A2 MEDICINAL ARYLETHANOLAMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-05-06 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 (2 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-20060148771-A1 Medicinal compounds AVPR1B, AVPR2, CYP11B1 ADRB2 98/4885MEN1 22/4885KMT2A 3938/4885
US-20060205790-A1 Medicinal arylethanolamine compounds NAT1, AADAC, AHR ADRB2 117/4885MEN1 2806/4885KMT2A 756/4885

“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.