SCHEMBL16249283

SCHEMBL16249283

COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC(C)=O)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 10/20 0.74
ADRB3 P13945 9/20 0.74
ADRB1 P08588 5/20 0.74
DRD2 P14416 2/20 0.74
CYP1A2 P05177 2/20 0.74
CYP3A4 P08684 2/20 0.74
CYP2D6 P10635 2/20 0.74
TSHR P16473 2/20 0.74
MAPK1 P28482 2/20 0.74
SLC6A4 P31645 2/20 0.74
ADRA1A P35348 2/20 0.74
PGR P06401 1/20 0.74
PTGS2 P35354 1/20 0.74
SLC6A3 Q01959 1/20 0.74
CYP2C19 P33261 1/20 0.74
DRD3 P35462 1/20 0.74
NFKB1 P19838 1/20 0.56
RAB9A P51151 1/20 0.56
HIF1A Q16665 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL30254890 1.00 ADRB2 (0.74) ADRB2ADRB3ADRB1DRD2CYP1A2
SCHEMBL13906283 1.00 ADRB2 (0.74) ADRB2ADRB3ADRB1DRD2CYP1A2
SCHEMBL15159944 1.00 ADRB2 (0.74) ADRB2ADRB3ADRB1DRD2CYP1A2
SCHEMBL1952781 0.93 ADRB2 (0.66) ADRB2ADRB3ADRB1DRD2CYP1A2
SCHEMBL13898704 0.92 ADRB2 (0.74) ADRB2ADRB3ADRB1DRD2CYP1A2
SCHEMBL10665374 0.90 ADRB2 (0.60) ADRB2ADRB3ADRB1DRD2CYP1A2
SCHEMBL20420611 0.89 ADRB2 (0.64) ADRB2ADRB3ADRB1DRD2CYP1A2
SCHEMBL3824204 0.89 ADRB2 (0.64) ADRB2ADRB3ADRB1DRD2CYP1A2
SCHEMBL13897129 0.88 CYP3A4 (0.59) ADRB2ADRB3ADRB1DRD2CYP1A2
SCHEMBL13906446 0.87 ADRB2 (0.61) ADRB2ADRB3ADRB1DRD2CYP1A2

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-9499475-B2 Process for the preparation of arformoterol or salt thereof GLENMARK PHARMACEUTICALS LIMITED (IN) 2016-11-22 US disclosed
US-9499475-B2 Process for the preparation of arformoterol or salt thereof GLENMARK PHARMACEUTICALS LIMITED (IN) 2016-11-22 US disclosed
US-20160083334-A1 PROCESS FOR THE PREPARATION OF ARFORMOTEROL OR SALT THEREOF GLENMARK LIFE SCIENCES LIMITED (IN) 2016-03-24 US disclosed
US-20160083334-A1 PROCESS FOR THE PREPARATION OF ARFORMOTEROL OR SALT THEREOF GLENMARK LIFE SCIENCES LIMITED (IN) 2016-03-24 US disclosed
WO-2014184756-A2 PROCESS FOR THE PREPARATION OF ARFORMOTEROL OR SALT THEREOF GLENMARK PHARMACEUTICALS LIMITED; GLENMARK GENERICS LIMITED (IN) 2014-11-20 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-20160083334-A1 PROCESS FOR THE PREPARATION OF ARFORMOTEROL OR SALT THEREOF AGT, AGTR1, REN ADRB2 8/4885ADRB3 14/4885ADRB1 5/4885

“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.