SCHEMBL3388893

SCHEMBL3388893

COc1ccccc1OCCNC(Oc1cccc2[nH]c3ccccc3c12)C(C)OP(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.57
DRD2 P14416 3/20 0.55
TLR4 O00206 2/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 2/20 0.55
DNM1 Q05193 2/20 0.55
ADRB3 P13945 2/20 0.55
SLC22A2 O15244 1/20 0.55
SLC22A1 O15245 1/20 0.55
MLNR O43193 1/20 0.55
NR1I2 O75469 1/20 0.55
KCNK2 O95069 1/20 0.55
ABCB11 O95342 1/20 0.55
APP P05067 1/20 0.55
ABCB1 P08183 1/20 0.55
ADRB1 P08588 1/20 0.55
HTR1A P08908 1/20 0.55
ADRA2A P08913 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
GAA P10253 1/20 0.55

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
SCHEMBL3710263 1.00 ADRB2 (0.57) ADRB2DRD2TLR4MAPTKDM4E
SCHEMBL5674942 0.88 ADRB2 (0.58) ADRB2DRD2TLR4MAPTKDM4E
SCHEMBL789339 0.86 ADRB2 (0.63) ADRB2DRD2TLR4MAPTKDM4E
SCHEMBL3385295 0.79 ADRB2 (0.72) ADRB2DRD2TLR4MAPTKDM4E
SCHEMBL4311917 0.79 ADRB2 (0.72) ADRB2DRD2TLR4MAPTKDM4E
Carvedilol SCHEMBL4655898 0.78 ADRB2 (0.81) ADRB2DRD2TLR4MAPTKDM4E
Carvedilol SCHEMBL1206988 0.75 ADRB2 (0.87) ADRB2DRD2TLR4MAPTKDM4E
SCHEMBL8587280 0.75 ADRB2 (0.54) ADRB2DRD2TLR4MAPTKDM4E
Carvedilol SCHEMBL29811211 0.75 ADRB2 (0.91) ADRB2DRD2TLR4MAPTKDM4E
Carvedilol SCHEMBL194220 0.75 ADRB2 (0.91) ADRB2DRD2TLR4MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344159-B2 Carvedilol phosphate sesquihydrate MYLAN LABORATORIES LIMITED (IN) 2013-01-01 US disclosed
WO-2010092589-A2 PROCESS FOR PREPARATION OF AMORPHOUS CARVEDILOL PHOSPHATE ALKEM LABORATORIES LTD. (IN) 2010-08-19 WO disclosed
US-20090259051-A1 CARVEDILOL PHOSPHATE SESQUIHYDRATE MATRIX LABORATORIES LIMITED (IN) 2009-10-15 US disclosed
WO-2007144900-A3 CARVEDILOL PHOSPHATE SESQUIHYDRATE MATRIX LAB LTD (IN) 2009-04-16 WO disclosed
WO-2007144900-A2 CARVEDILOL PHOSPHATE SESQUIHYDRATE MATRIX LABORATORIES LIMITED (IN) 2007-12-21 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 (1 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-20090259051-A1 CARVEDILOL PHOSPHATE SESQUIHYDRATE CASR, CACNA1H, CALML3 ADRB2 20/4885DRD2 746/4885TLR4 2727/4885

“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.