SCHEMBL3979704

SCHEMBL3979704

NC(=O)c1cc([C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.57
ADRB1 P08588 14/20 0.57
ADRA1D P25100 14/20 0.57
ADRA1A P35348 14/20 0.57
ADRA1B P35368 14/20 0.57
ADRB3 P13945 13/20 0.57
KDM4E B2RXH2 3/20 0.56
CYP2D6 P10635 2/20 0.56
ADRA2A P08913 2/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 2/20 0.56
HTR1A P08908 1/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
OPRM1 P35372 1/20 0.56
DRD3 P35462 1/20 0.56
HTR2B P41595 1/20 0.56
SLC6A3 Q01959 1/20 0.56

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
SCHEMBL11597558 0.83 ADRA1D (0.54) ADRB2ADRB1ADRA1DADRA1AADRA1B
SCHEMBL5353150 0.83 KDM4E (0.44) ADRB2ADRB1ADRA1DADRA1AADRA1B
SCHEMBL3978402 0.82 ADRA1D (0.45) ADRB2ADRB1ADRA1DADRA1AADRA1B
SCHEMBL11354288 0.81 ADRB1 (0.63) ADRB2ADRB1ADRA1DADRA1AADRA1B
SCHEMBL11349295 0.81 ADRB1 (0.63) ADRB2ADRB1ADRA1DADRA1AADRA1B
SCHEMBL5347615 0.81 MAOB (0.52) ADRB2ADRB1ADRA1DADRA1AADRA1B
SCHEMBL5347623 0.81 MAOB (0.52) ADRB2ADRB1ADRA1DADRA1AADRA1B
SCHEMBL5359397 0.81 MAOB (0.52) ADRB2ADRB1ADRA1DADRA1AADRA1B
SCHEMBL11597561 0.81 L3MBTL1 (0.45) ADRB2ADRB1ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL11357232 0.80 ADRB1 (0.64) ADRB2ADRB1ADRA1DADRA1AADRA1B

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 98/4885ADRB1 16/4885ADRA1D 19/4885
US-20060205790-A1 Medicinal arylethanolamine compounds NAT1, AADAC, AHR ADRB2 117/4885ADRB1 120/4885ADRA1D 202/4885

“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.