SCHEMBL545867

SCHEMBL545867

CCC(NC(C)c1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
ACP3 P15309 3/20 0.56
PKM P14618 1/20 0.54
KMT2A Q03164 5/20 0.51
GPR88 Q9GZN0 2/20 0.51
MITF O75030 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 2/20 0.48
GAA P10253 1/20 0.47
KDM1A O60341 1/20 0.47
KCNK3 O14649 1/20 0.46
TACR3 P29371 1/20 0.45
KCNA5 P22460 1/20 0.44
PBRM1 Q86U86 1/20 0.44

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
SCHEMBL28447924 1.00 ALDH1A1 (0.57) ALDH1A1ACP3PKMKMT2AGPR88
SCHEMBL28452365 1.00 ALDH1A1 (0.57) ALDH1A1ACP3PKMKMT2AGPR88
Hydrochloric Acid SCHEMBL28443805 0.98 ACP3 (0.58) ALDH1A1ACP3PKMKMT2AGPR88
SCHEMBL29277735 0.90 GPR88 (0.52) ALDH1A1ACP3PKMKMT2AGPR88
SCHEMBL29277734 0.90 GPR88 (0.52) ALDH1A1ACP3PKMKMT2AGPR88
SCHEMBL17186397 0.86 ALDH1A1 (0.68) ALDH1A1ACP3PKMKMT2AGPR88
SCHEMBL17193735 0.86 ALDH1A1 (0.68) ALDH1A1ACP3PKMKMT2AGPR88
SCHEMBL17186621 0.86 ALDH1A1 (0.68) ALDH1A1ACP3PKMKMT2AGPR88
SCHEMBL17186620 0.86 ALDH1A1 (0.68) ALDH1A1ACP3PKMKMT2AGPR88
SCHEMBL17186493 0.86 ALDH1A1 (0.68) ALDH1A1ACP3PKMKMT2AGPR88

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305635-B1 FORMOTEROL TARTRATE, PROCESS AND POLYMORPH SUNOVION PHARMACEUTICALS INC (US) 2018-06-13 EP disclosed
US-20120108670-A1 FORMOTEROL TARTRATE PROCESS AND POLYMORPH SUNOVION PHARMACEUTICALS INC. (US) 2012-05-03 US disclosed
US-20120053246-A1 PURIFICATION PROCESS FOR PREPARING HIGHLY PURE ARFORMOTEROL TARTRATE SUBSTANTIALLY FREE OF DESFORMYL IMPURITY ACTAVIS GROUP PTC EHF (IS) 2012-03-01 US disclosed
US-8110706-B2 Formoterol tartrate process and polymorph SUNOVION PHARMACEUTICALS INC. (US) 2012-02-07 US disclosed
US-20110313199-A1 PROCESSES FOR PREPARING SUBSTANTIALLY PURE ARFORMOTEROL AND ITS INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2011-12-22 US disclosed
US-7964753-B2 Formoterol tartrate process and polymorph SUNOVION PHARMACEUTICALS INC. (US) 2011-06-21 US disclosed
EP-2305635-A2 Formoterol tartrate process and polymorph SEPRACOR, INC. (US) 2011-04-06 EP disclosed
US-20110014246-A1 AMORPHOUS ARFORMOTEROL L-(+)-TARTRATE ACTAVIS GROUP PTC EHF (IS) 2011-01-20 US disclosed
US-20100249459-A1 Formoterol Tartrate Process and Polymorph SEPRACOR INC. (US) 2010-09-30 US disclosed
US-20100204336-A1 Formoterol Tartrate Process and Polymorph SEPRACOR INC. (US) 2010-08-12 US disclosed
US-6720453-B2 PURITY; THERMODYNAMICALLY STABLE SEPRACOR INC. 2004-04-13 US disclosed
EP-1082293-B1 FORMOTEROL POLYMORPHS SEPRACOR INC (US) 2004-02-18 EP disclosed
US-20030149304-A1 Formoterol tartrate polymorph SEPRACOR INC. 2003-08-07 US disclosed
EP-1093450-B1 DESFORMOTEROL AND PROCESS FOR ITS PREPARATION SEPRACOR INC (US) 2003-04-23 EP disclosed
US-6472563-B1 RECRYSTALLIZATION FROM AQUEOUS ISOPROPYL ALCOHOL; HIGH PURITY; THERMODYNAMICALLY STABLE SEPRACOR INC. 2002-10-29 US disclosed
EP-0938467-B1 PROCESS FOR THE PREPARATION OF OPTICALLY PURE ISOMERS OF FORMOTEROL SEPRACOR INC (US) 2002-06-12 EP disclosed
US-6268533-B1 REACTING 4-BENZYLOXY-3-FORMAMIDOSTYRENE OXIDE WITH AN OPTICALLY PURE 4-METHOXY-.ALPHA.-METHYL-N-(PHENYLMETHYL)BENZENEETHANAMINE FOLLOWED BY REDUCTION TO PRODUCE FORMOTEROL SEPRACOR INC. 2001-07-31 US disclosed
US-6071971-A FOR TREATING PULMONARY DISORDERS SEPRACOR INC. (US) 2000-06-06 US disclosed
US-6040344-A CRYSTALLINE R,R-FORMOTEROL L-(+)-TARTRATE. SEPRACOR INC. (US) 2000-03-21 US disclosed
US-5965622-A BRONCHODILATORS; HIGHLY SELECTIVE BETA 2-ADRENERGIC RECEPTOR AGONIST; RESPIRATORY DISORDERS, E.G. ASTHMA, BRONCHITIS; REDUCTION OF A PROTECTED NITRO DERIVATIVE; STEREOSPECIFIC SEPRACOR INC. (US) 1999-10-12 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 (7 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-20100249459-A1 Formoterol Tartrate Process and Polymorph ADRB1, ADRA1B, ADRA1A ALDH1A1 2738/4885ACP3 350/4885PKM 3317/4885
US-20110014246-A1 AMORPHOUS ARFORMOTEROL L-(+)-TARTRATE AGTR1, AGTR2, AGT ALDH1A1 3465/4885ACP3 44/4885PKM 4772/4885
US-20120108670-A1 FORMOTEROL TARTRATE PROCESS AND POLYMORPH ADRB1, ADRA1B, ADRA1A ALDH1A1 2738/4885ACP3 350/4885PKM 3317/4885
US-20120053246-A1 PURIFICATION PROCESS FOR PREPARING HIGHLY PURE ARFORMOTEROL TARTRATE SUBSTANTIALLY FREE OF DESFORMYL IMPURITY ADRB1, ADRB2, ADRA1A ALDH1A1 1084/4885ACP3 484/4885PKM 3591/4885
US-20030149304-A1 Formoterol tartrate polymorph ADRB1, ADRA1B, ADRA1A ALDH1A1 2633/4885ACP3 286/4885PKM 3979/4885
US-20110313199-A1 PROCESSES FOR PREPARING SUBSTANTIALLY PURE ARFORMOTEROL AND ITS INTERMEDIATES ADRB2, ADRA2A, ADRB1 ALDH1A1 1401/4885ACP3 2243/4885PKM 3026/4885
US-20100204336-A1 Formoterol Tartrate Process and Polymorph ADRB1, ADRA1B, ADRA1A ALDH1A1 2738/4885ACP3 350/4885PKM 3317/4885

“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.