SCHEMBL4545215

SCHEMBL4545215

Cc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.81
ADRB3 P13945 5/20 0.81
TLR4 O00206 4/20 0.81
DRD2 P14416 3/20 0.81
MAPT P10636 2/20 0.81
DNM1 Q05193 2/20 0.81
KDM4E B2RXH2 1/20 0.81
SLC22A2 O15244 1/20 0.81
SLC22A1 O15245 1/20 0.81
MLNR O43193 1/20 0.81
NR1I2 O75469 1/20 0.81
KCNK2 O95069 1/20 0.81
ABCB11 O95342 1/20 0.81
APP P05067 1/20 0.81
ABCB1 P08183 1/20 0.81
ADRB1 P08588 1/20 0.81
HTR1A P08908 1/20 0.81
ADRA2A P08913 1/20 0.81
ADORA3 P0DMS8 1/20 0.81
GAA P10253 1/20 0.81

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
SCHEMBL17946163 0.97 ADRB2 (0.76) ADRB2ADRB3TLR4DRD2MAPT
SCHEMBL28985970 0.90 ADRB2 (0.73) ADRB2ADRB3TLR4DRD2MAPT
Carvedilol SCHEMBL29370188 0.90 ADRB2 (1.00) ADRB2ADRB3TLR4DRD2MAPT
Carvedilol SCHEMBL1560204 0.90 ADRB2 (1.00) ADRB2ADRB3TLR4DRD2MAPT
(R)-Carvedilol SCHEMBL29744872 0.90 ADRB2 (1.00) ADRB2ADRB3TLR4DRD2MAPT
Carvedilol SCHEMBL1172788 0.90 ADRB2 (1.00) ADRB2ADRB3TLR4DRD2MAPT
(R)-Carvedilol SCHEMBL232110 0.90 ADRB2 (1.00) ADRB2ADRB3TLR4DRD2MAPT
Carvedilol SCHEMBL10082334 0.90 ADRB2 (1.00) ADRB2ADRB3TLR4DRD2MAPT
SCHEMBL19691083 0.90 ADRB2 (0.85) ADRB2ADRB3TLR4DRD2MAPT
Carvedilol SCHEMBL29687280 0.90 ADRB2 (1.00) ADRB2ADRB3TLR4DRD2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160214973-A1 STORE OVERLOAD-INDUCED CALCIUM RELEASE INHIBITORS AND METHODS FOR PRODUCING AND USING THE SAME UTI LIMITED PARTNERSHIP (CA) 2016-07-28 US disclosed
US-20160214973-A1 STORE OVERLOAD-INDUCED CALCIUM RELEASE INHIBITORS AND METHODS FOR PRODUCING AND USING THE SAME UTI LIMITED PARTNERSHIP (CA) 2016-07-28 US disclosed
WO-2015031914-A1 STORE OVERLOAD-INDUCED CALCIUM RELEASE INHIBITORS AND METHODS FOR PRODUCING AND USING THE SAME UTI LIMITED PARTNERSHIP (CA) 2015-03-05 WO disclosed
US-8883207-B2 Controlled release carvedilol formulation TSH BIOPHARM CORPORATION LTD. (TW) 2014-11-11 US disclosed
US-8716191-B2 Method of preparing an adduct UNIVERSITE DE STRASBOURG (FR) 2014-05-06 US disclosed
US-8344159-B2 Carvedilol phosphate sesquihydrate MYLAN LABORATORIES LIMITED (IN) 2013-01-01 US disclosed
US-20120245212-A1 CONTROLLED RELEASE CARVEDILOL FORMULATION INNOPHARMAX, INC. (TW) 2012-09-27 US disclosed
US-20120115751-A1 METHOD OF PREPARING AN ADDUCT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-05-10 US disclosed
WO-2009116069-A2 PROCESS FOR PREPARATION OF 1-(9H-CARBAZOL-4-YLOXY)-3-[[2-(2- METHOXYPHENOXY) ETHYL] AMINO]-2-PROPANOL IPCA LABORATORIES LIMITED (IN) 2009-09-24 WO disclosed
EP-1741700-B1 Process for the preparation of carvedilol IPCA LAB LTD (IN) 2008-12-24 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-20120245212-A1 CONTROLLED RELEASE CARVEDILOL FORMULATION ADRB1, ADRB2, ADRA2A ADRB2 2/4885ADRB3 6/4885TLR4 1572/4885
US-20160214973-A1 STORE OVERLOAD-INDUCED CALCIUM RELEASE INHIBITORS AND METHODS FOR PRODUCING AND USING THE SAME ORAI1, RYR2, CASR ADRB2 751/4885ADRB3 1943/4885TLR4 2903/4885

“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.