SCHEMBL3385295

SCHEMBL3385295

COc1ccccc1OCCNCC(COc1cccc2[nH]c3ccccc3c12)OP(=O)(O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.72
DRD2 P14416 3/20 0.72
TLR4 O00206 3/20 0.72
MAPT P10636 2/20 0.72
DNM1 Q05193 2/20 0.72
KDM4E B2RXH2 2/20 0.72
SLC22A2 O15244 1/20 0.72
SLC22A1 O15245 1/20 0.72
MLNR O43193 1/20 0.72
NR1I2 O75469 1/20 0.72
KCNK2 O95069 1/20 0.72
ABCB11 O95342 1/20 0.72
APP P05067 1/20 0.72
ABCB1 P08183 1/20 0.72
ADRB1 P08588 1/20 0.72
HTR1A P08908 1/20 0.72
ADRA2A P08913 1/20 0.72
ADORA3 P0DMS8 1/20 0.72
GAA P10253 1/20 0.72
ADRB3 P13945 1/20 0.72

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
SCHEMBL4311917 1.00 ADRB2 (0.72) ADRB2DRD2TLR4MAPTDNM1
Carvedilol SCHEMBL4655898 0.88 ADRB2 (0.81) ADRB2DRD2TLR4MAPTDNM1
SCHEMBL14359319 0.88 ADRB2 (0.78) ADRB2DRD2TLR4MAPTDNM1
Carvedilol SCHEMBL1206988 0.87 ADRB2 (0.87) ADRB2DRD2TLR4MAPTDNM1
SCHEMBL1326738 0.87 ADRB2 (0.74) ADRB2DRD2TLR4MAPTDNM1
Carvedilol SCHEMBL29811211 0.87 ADRB2 (0.91) ADRB2DRD2TLR4MAPTDNM1
Carvedilol SCHEMBL194220 0.87 ADRB2 (0.91) ADRB2DRD2TLR4MAPTDNM1
Carvedilol SCHEMBL599530 0.86 ADRB2 (0.89) ADRB2DRD2TLR4MAPTDNM1
Carvedilol SCHEMBL15512534 0.86 ADRB2 (0.89) ADRB2DRD2TLR4MAPTDNM1
Carvedilol SCHEMBL600699 0.86 ADRB2 (0.89) ADRB2DRD2TLR4MAPTDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100076047-A1 Amorphous 1-(9H-carbazol-4-yloxy)-3-[[2-(2-methoxyphenoxy)ethyl]amino]-2-propanol phosphate salt AUROBINDO PHARMA LTD (IN) 2010-03-25 US claimed
US-20170119678-A1 EXTENDED RELEASE COMPOSITIONS OF CARVEDILOL PHOSPHATE HETERO RESEARCH FOUNDATION (IN) 2017-05-04 US disclosed
US-8637080-B2 Rupturing controlled release device comprising a subcoat Osmotica Kereskedelmi és Szolgáltató, KFT (HU) 2014-01-28 US disclosed
WO-2010092589-A2 PROCESS FOR PREPARATION OF AMORPHOUS CARVEDILOL PHOSPHATE ALKEM LABORATORIES LTD. (IN) 2010-08-19 WO disclosed
WO-2010089760-A2 CONTROLLED RELEASE, MULTIPLE UNIT PHARMACEUTICAL COMPOSITIONS ALKEM LABORATORIES LTD. (IN) 2010-08-12 WO disclosed
US-20100076047-A1 Amorphous 1-(9H-carbazol-4-yloxy)-3-[[2-(2-methoxyphenoxy)ethyl]amino]-2-propanol phosphate salt AUROBINDO PHARMA LTD (IN) 2010-03-25 US disclosed
US-20100076047-A1 Amorphous 1-(9H-carbazol-4-yloxy)-3-[[2-(2-methoxyphenoxy)ethyl]amino]-2-propanol phosphate salt AUROBINDO PHARMA LTD (IN) 2010-03-25 US disclosed
US-20100076047-A1 Amorphous 1-(9H-carbazol-4-yloxy)-3-[[2-(2-methoxyphenoxy)ethyl]amino]-2-propanol phosphate salt AUROBINDO PHARMA LTD (IN) 2010-03-25 US disclosed
EP-2114881-A1 PROCESS FOR THE PURIFICATION OF CARVEDILOL OR ITS SALTS THEREOF Teva Pharmaceutical Industries Ltd. (IL) 2009-11-11 EP disclosed
US-20090004229-A1 RUPTURING CONTROLLED RELEASE DEVICE COMPRISING A SUBCOAT OSMOTICA COSTA RICA SOCIEDAD ANONIMA (CR) 2009-01-01 US disclosed
WO-2008105794-A1 PROCESS FOR THE PURIFICATION OF CARVEDILOL OR ITS SALTS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-09-04 WO disclosed
US-20080207726-A1 Process for the purification of carvedilol or its salts thereof TEVA PHARMACEUTICALS USA, INC. 2008-08-28 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 (3 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-20100076047-A1 Amorphous 1-(9H-carbazol-4-yloxy)-3-[[2-(2-methoxyphenoxy)ethyl]amino]-2-propanol phosphate salt ADRB2, ADRB1, ADRB3 ADRB2 1/4885DRD2 1551/4885TLR4 2210/4885
US-20080207726-A1 Process for the purification of carvedilol or its salts thereof ADRB2, ADRB1, REN ADRB2 1/4885DRD2 634/4885TLR4 2563/4885
US-20170119678-A1 EXTENDED RELEASE COMPOSITIONS OF CARVEDILOL PHOSPHATE RYR2, CALML3, ATP2A3 ADRB2 13/4885DRD2 1394/4885TLR4 1988/4885

“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.