SCHEMBL5375723

SCHEMBL5375723

COc1ccccc1OCCN(Cc1ccccc1)CC(O)COc1cccc2[nH]c3ccccc3c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.62
TLR4 O00206 5/20 0.62
ADRB3 P13945 4/20 0.62
DRD2 P14416 3/20 0.62
ADRB1 P08588 3/20 0.62
MAPT P10636 2/20 0.62
DNM1 Q05193 2/20 0.62
KDM4E B2RXH2 1/20 0.62
SLC22A2 O15244 1/20 0.62
SLC22A1 O15245 1/20 0.62
MLNR O43193 1/20 0.62
NR1I2 O75469 1/20 0.62
KCNK2 O95069 1/20 0.62
ABCB11 O95342 1/20 0.62
APP P05067 1/20 0.62
ABCB1 P08183 1/20 0.62
HTR1A P08908 1/20 0.62
ADRA2A P08913 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
GAA P10253 1/20 0.62

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
SCHEMBL4555826 0.92 ADRB2 (0.68) ADRB2TLR4ADRB3DRD2ADRB1
SCHEMBL8277013 0.92 ADRB2 (0.68) ADRB2TLR4ADRB3DRD2ADRB1
SCHEMBL7990563 0.90 TLR4 (0.51) ADRB2TLR4ADRB3DRD2ADRB1
SCHEMBL10123780 0.90 ADRB2 (0.65) ADRB2TLR4ADRB3DRD2ADRB1
SCHEMBL12126042 0.89 TLR4 (0.50) ADRB2TLR4ADRB3DRD2ADRB1
SCHEMBL14582544 0.88 ADRB2 (0.63) ADRB2TLR4ADRB3DRD2ADRB1
SCHEMBL8199187 0.85 ADRB2 (0.67) ADRB2TLR4ADRB3DRD2ADRB1
SCHEMBL7997039 0.85 ADRB2 (0.66) ADRB2TLR4ADRB3DRD2ADRB1
SCHEMBL17946178 0.84 ADRB2 (0.58) ADRB2TLR4ADRB3DRD2ADRB1
SCHEMBL13204418 0.84 ADRB2 (0.65) ADRB2TLR4ADRB3DRD2ADRB1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111110854-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-05-08 CN claimed
US-7169935-B2 Process for preparing heterocyclic indene analogs HOFFMANN-LA ROCHE INC. (US) 2007-01-30 US claimed
US-20040127723-A1 Process for preparing heterocyclic indene analogs SCALONE MICHELANGELO (CH) 2004-07-01 US claimed
EP-1355880-A2 PROCESS FOR THE PREPARATION OF HETEROCYCLIC INDENE ANALOGS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-29 EP claimed
WO-2002059089-A2 PROCESS FOR THE PREPARATION OF HETEROCYCLIC INDENE ANALOGS F. HOFFMANN-LA ROCHE AG (CH) 2002-08-01 WO claimed
US-20020099223-A1 Process for preparing heterocyclic indene analogs HOFFMANN-LA ROCHE INC. 2002-07-25 US claimed
CN-111110854-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-05-08 CN disclosed
US-8058453-B2 Process for the preparation of Carvedilol Form II MATRIX LABORATORIES LTD. (IN) 2011-11-15 US disclosed
US-7875730-B2 Reacting 4-(oxiran-2-ylmethoxy)-9H-carbazole with 2-(2-methoxyphenoxy)ethylamine to make(+-) 1-(9H-carbazol-4-yloxy))-3-[2-(2-methoxyphenoxy)ethyl]amino-2-propanol; nonselective beta -adrenergic activity CADILA HEALTHCARE LTD. (IN) 2011-01-25 US disclosed
US-7875730-B2 Reacting 4-(oxiran-2-ylmethoxy)-9H-carbazole with 2-(2-methoxyphenoxy)ethylamine to make(+-) 1-(9H-carbazol-4-yloxy))-3-[2-(2-methoxyphenoxy)ethyl]amino-2-propanol; nonselective beta -adrenergic activity CADILA HEALTHCARE LTD. (IN) 2011-01-25 US disclosed
US-7858811-B2 Process for the preparation of indoles HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-7858811-B2 Process for the preparation of indoles HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
EP-1756057-B1 PROCESS FOR THE PREPARATION OF CARVEDILOL CIPLA LTD (IN) 2010-08-04 EP disclosed
US-7169935-B2 Process for preparing heterocyclic indene analogs HOFFMANN-LA ROCHE INC. (US) 2007-01-30 US disclosed
WO-2005113502-A1 PROCESS FOR THE PREPARATION OF CARVEDILOL CIPLA LIMITED (IN) 2005-12-01 WO disclosed
US-6777559-B2 CYCLOCARBONYLATING ACETIC ACID (OR BENZOIC ACID)-1-(1-BENZENESULFONYL-1H-INDOL-2-YL)-ALLYL ESTER TO OBTAIN 9-BENZENESULFONYL-9H-CARBAZOL-4-YL ESTER; SAPONIFYING HOFFMANN-LA ROCHE INC. 2004-08-17 US disclosed
US-20040127723-A1 Process for preparing heterocyclic indene analogs SCALONE MICHELANGELO (CH) 2004-07-01 US disclosed
EP-1355880-A2 PROCESS FOR THE PREPARATION OF HETEROCYCLIC INDENE ANALOGS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-29 EP disclosed
WO-2002059089-A2 PROCESS FOR THE PREPARATION OF HETEROCYCLIC INDENE ANALOGS F. HOFFMANN-LA ROCHE AG (CH) 2002-08-01 WO disclosed
US-20020099223-A1 Process for preparing heterocyclic indene analogs HOFFMANN-LA ROCHE INC. 2002-07-25 US 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-20040127723-A1 Process for preparing heterocyclic indene analogs CYP3A4, CYP8B1, CYP51A1 ADRB2 2361/4885TLR4 3096/4885ADRB3 2585/4885
US-20020099223-A1 Process for preparing heterocyclic indene analogs CYP3A4, CYP8B1, CYP51A1 ADRB2 2361/4885TLR4 3096/4885ADRB3 2585/4885

“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.