SCHEMBL10000454

SCHEMBL10000454

OCc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.78
ADRB3 P13945 5/20 0.78
TLR4 O00206 4/20 0.78
DRD2 P14416 3/20 0.78
ADRB1 P08588 3/20 0.78
MAPT P10636 2/20 0.78
DNM1 Q05193 2/20 0.78
KDM4E B2RXH2 1/20 0.78
SLC22A2 O15244 1/20 0.78
SLC22A1 O15245 1/20 0.78
MLNR O43193 1/20 0.78
NR1I2 O75469 1/20 0.78
KCNK2 O95069 1/20 0.78
ABCB11 O95342 1/20 0.78
APP P05067 1/20 0.78
ABCB1 P08183 1/20 0.78
HTR1A P08908 1/20 0.78
ADRA2A P08913 1/20 0.78
ADORA3 P0DMS8 1/20 0.78
GAA P10253 1/20 0.78

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
SCHEMBL12259643 1.00 ADRB2 (0.78) ADRB2ADRB3TLR4DRD2ADRB1
SCHEMBL14366111 0.92 ADRB2 (0.78) ADRB2ADRB3TLR4DRD2ADRB1
SCHEMBL28985982 0.90 ADRB2 (0.72) ADRB2ADRB3TLR4DRD2ADRB1
SCHEMBL8291496 0.88 ADRB2 (0.79) ADRB2ADRB3TLR4DRD2ADRB1
Carvedilol SCHEMBL4653687 0.88 ADRB2 (0.96) ADRB2ADRB3TLR4DRD2ADRB1
Carvedilol SCHEMBL10082334 0.88 ADRB2 (1.00) ADRB2ADRB3TLR4DRD2ADRB1
Carvedilol SCHEMBL1560204 0.88 ADRB2 (1.00) ADRB2ADRB3TLR4DRD2ADRB1
SCHEMBL19691083 0.88 ADRB2 (0.85) ADRB2ADRB3TLR4DRD2ADRB1
SCHEMBL4545215 0.88 ADRB2 (0.81) ADRB2ADRB3TLR4DRD2ADRB1
(R)-Carvedilol SCHEMBL232110 0.88 ADRB2 (1.00) ADRB2ADRB3TLR4DRD2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041044-A1 PROCESS FOR THE PREPARATION OF CARVEDILOL AND ITS ENANTIOMERS ZACH SYSTEM S.P.A. (IT) 2012-02-16 US disclosed
US-8058453-B2 Process for the preparation of Carvedilol Form II MATRIX LABORATORIES LTD. (IN) 2011-11-15 US disclosed
US-20110015247-A1 NOVEL CRYSTALLINE FORM OF CARVEDILOL DIHYDROGEN PHOSPHATE AND RELATED PROCESSES SHODHANA LABORATORIES LIMITED (IN) 2011-01-20 US disclosed
US-20090286991-A1 PROCESS FOR THE PREPARATION OF CARVEDILOL FORM II TIANISH LABORATORIES PRIVATE LIMITED (IN) 2009-11-19 US disclosed
US-7468442-B2 Process for the preparation of carvedilol form-II MATRIX LABORATORIES LTD. (IN) 2008-12-23 US disclosed
US-20080096951-A1 Carvedilol Monocitrate Monohydrate SB PHARMO PUERTO RICO INC. 2008-04-24 US disclosed
US-20070055069-A1 Process for the preparation of carvedilol form-ii TIANISH LABORATORIES PRIVATE LIMITED (IN) 2007-03-08 US disclosed
US-20070027202-A1 Process for the preparation of carvedilol and its salts IPCA LABORATORIES LIMITED (IN) 2007-02-01 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 (6 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-20120041044-A1 PROCESS FOR THE PREPARATION OF CARVEDILOL AND ITS ENANTIOMERS ADRB1, ADRB2, ADRA1A ADRB2 2/4885ADRB3 5/4885TLR4 3851/4885
US-20070055069-A1 Process for the preparation of carvedilol form-ii ADRB2, ADRA2C, AGTR2 ADRB2 1/4885ADRB3 6/4885TLR4 3163/4885
US-20090286991-A1 PROCESS FOR THE PREPARATION OF CARVEDILOL FORM II ADRB2, ADRA2C, ADRB1 ADRB2 1/4885ADRB3 4/4885TLR4 3067/4885
US-20110015247-A1 NOVEL CRYSTALLINE FORM OF CARVEDILOL DIHYDROGEN PHOSPHATE AND RELATED PROCESSES REN, SARAF, BPHL ADRB2 15/4885ADRB3 65/4885TLR4 3412/4885
US-20070027202-A1 Process for the preparation of carvedilol and its salts ADRB2, ADRB3, ADRB1 ADRB2 1/4885ADRB3 2/4885TLR4 2600/4885
US-20080096951-A1 Carvedilol Monocitrate Monohydrate REN, ADRB1, CACNA1F ADRB2 9/4885ADRB3 4/4885TLR4 1406/4885

“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.