SCHEMBL4570569

SCHEMBL4570569

COc1ccccc1OCCNCC(O)COc1cccc2c1[nH]c1ccccc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.78
DRD2 P14416 3/20 0.78
MAPT P10636 2/20 0.78
TLR4 O00206 2/20 0.78
ADRB1 P08588 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
ADRB3 P13945 1/20 0.78
ADRA2B P18089 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
SCHEMBL7410044 0.93 ADRB2 (0.67) ADRB2DRD2MAPTTLR4ADRB1
SCHEMBL7411219 0.92 ADRB2 (0.66) ADRB2DRD2MAPTTLR4ADRB1
SCHEMBL7412337 0.92 ADRB2 (0.66) ADRB2DRD2MAPTTLR4ADRB1
SCHEMBL7403484 0.90 ADRB2 (0.63) ADRB2DRD2MAPTTLR4ADRB1
SCHEMBL7410118 0.90 ADRB2 (0.63) ADRB2DRD2MAPTTLR4ADRB1
Carvedilol SCHEMBL5465072 0.89 ADRB2 (0.98) ADRB2DRD2MAPTTLR4ADRB1
SCHEMBL7417184 0.88 ADRB2 (0.61) ADRB2DRD2MAPTTLR4ADRB1
SCHEMBL7410154 0.88 ADRB2 (0.61) ADRB2DRD2MAPTTLR4ADRB1
SCHEMBL7410183 0.88 ADRB2 (0.61) ADRB2DRD2MAPTTLR4ADRB1
SCHEMBL7407193 0.88 ADRB2 (0.61) ADRB2DRD2MAPTTLR4ADRB1

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-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
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
US-20090176992-A1 PROCESS FOR THE PREPARATION OF HIGHLY OPTICAL PURE CARVEDILOL RSTECH CORPORATION (KR) 2009-07-09 US disclosed
US-20090176992-A1 PROCESS FOR THE PREPARATION OF HIGHLY OPTICAL PURE CARVEDILOL RSTECH CORPORATION (KR) 2009-07-09 US disclosed
WO-2007097504-A1 PROCESS FOR THE PREPARATION OF HIGHLY OPTICAL PURE CARVEDILOL AHN-GOOK PHARMACEUTICAL CO., LTD. (KR) 2007-08-30 WO disclosed
EP-1660451-A2 NEW CRYSTALLINE FORMS OF CARVEDILOL KRKA, tovarna zdravil, d.d., Novo mesto (SI) 2006-05-31 EP disclosed
WO-2005021504-A2 NEW CRYSTALLINE FORMS OF CARVEDILOL KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2005-03-10 WO disclosed
EP-1098646-B1 STABILIZED CARVEDILOL INJECTION SOLUTION ROCHE DIAGNOSTICS GMBH (DE) 2004-09-22 EP disclosed
EP-1098646-A1 STABILIZED CARVEDILOL INJECTION SOLUTION Roche Diagnostics GmbH (DE) 2001-05-16 EP disclosed
WO-2000004902-A1 STABILIZED CARVEDILOL INJECTION SOLUTION ROCHE DIAGNOSTICS GMBH (DE) 2000-02-03 WO disclosed
US-4503067-A HYPOTENSIVE, ANGINA PECTORIS BOEHRINGER MANNHEIM GMBH (DE) 1985-03-05 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-20160214973-A1 STORE OVERLOAD-INDUCED CALCIUM RELEASE INHIBITORS AND METHODS FOR PRODUCING AND USING THE SAME ORAI1, RYR2, CASR ADRB2 751/4885DRD2 3630/4885MAPT 4171/4885
US-20090176992-A1 PROCESS FOR THE PREPARATION OF HIGHLY OPTICAL PURE CARVEDILOL ADRB2, ADRB1, ADRB3 ADRB2 1/4885DRD2 324/4885MAPT 3119/4885

“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.