SCHEMBL3983553

SCHEMBL3983553

NC[C@H](O)c1cc(Cl)c(N)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.56
LMNA P02545 3/20 0.56
ADRB2 P07550 3/20 0.56
ADRA1A P35348 2/20 0.56
TSHR P16473 2/20 0.56
HTR1A P08908 1/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
OPRK1 P41145 1/20 0.56
SLC6A3 Q01959 1/20 0.56
CYP3A4 P08684 3/20 0.54
KDM4E B2RXH2 3/20 0.54
TAAR1 Q96RJ0 3/20 0.44
APEX1 P27695 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
RECQL P46063 2/20 0.44
BLM P54132 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL6323504 1.00 ADRB1 (0.56) ADRB1LMNAADRB2ADRA1ATSHR
SCHEMBL7147396 0.87 ADRB1 (0.45) ADRB1LMNAADRB2ADRA1ATSHR
SCHEMBL7150188 0.84 HPGD (0.45) ADRB1LMNAADRB2ADRA1ATSHR
SCHEMBL6476992 0.82 ADRB2 (0.55) ADRB1LMNAADRB2ADRA1ATSHR
SCHEMBL10493809 0.82 ADRB1 (0.42) ADRB1LMNAADRB2ADRA1ATSHR
SCHEMBL8789051 0.81 ADRB1 (0.54) ADRB1LMNAADRB2ADRA1ATSHR
SCHEMBL7151236 0.81 LMNA (0.42) ADRB1LMNAADRB2ADRA1ATSHR
SCHEMBL8789044 0.81 ADRB1 (0.54) ADRB1LMNAADRB2ADRA1ATSHR
SCHEMBL8402182 0.77 BLM (0.47) ADRB1LMNAADRB2ADRA1ATSHR
SCHEMBL7151603 0.77 BLM (0.47) ADRB1LMNAADRB2ADRA1ATSHR

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 21 patents — showing the first 20. 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-1554264-A2 MEDICINAL ARYLETHANOLAMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-07-20 EP 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
US-20030143701-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. 2003-07-31 US disclosed
EP-0924194-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-05-14 EP disclosed
US-6528686-B1 Reacting primary amine and ketone functionalized derivatives; catalytically reducing DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-04 US disclosed
EP-0939134-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2002-09-11 EP disclosed
US-6114582-A DECYCLIZATION TO FORM A CHEMICAL INTERMEDIATE FOR PRODUCING AN ANTI-OBESITY AGENT AND ANTIDIABETIC AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-05 US disclosed
EP-0654534-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2000-03-01 EP disclosed
EP-0939134-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-01 EP disclosed
EP-0924193-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 EP disclosed
EP-0924194-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 EP disclosed
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed
US-5629200-A MICROORGANISM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-13 US disclosed
EP-0654534-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-24 EP disclosed
EP-0460924-A1 Dichloroaniline compound GLAXO GROUP LIMITED (GB) 1991-12-11 EP 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 ADRB1 16/4885LMNA 871/4885ADRB2 98/4885
US-20060205790-A1 Medicinal arylethanolamine compounds NAT1, AADAC, AHR ADRB1 120/4885LMNA 1296/4885ADRB2 117/4885

“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.