SCHEMBL545865

SCHEMBL545865

COc1ccc(C[C@H](C)N[C@@H](C)c2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.73
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
ACP3 P15309 2/20 0.51
PKM P14618 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC2A1 P11166 1/20 0.48

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
SCHEMBL30061063 1.00 SIGMAR1 (0.73) SIGMAR1KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL1134287 1.00 SIGMAR1 (0.73) SIGMAR1KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL2168922 1.00 SIGMAR1 (0.73) SIGMAR1KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL17530049 1.00 SIGMAR1 (0.73) SIGMAR1KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL17530048 1.00 SIGMAR1 (0.73) SIGMAR1KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL545866 1.00 SIGMAR1 (0.73) SIGMAR1KMT2AMEN1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL28444128 0.98 SIGMAR1 (0.71) SIGMAR1KMT2AMEN1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL2427692 0.98 SIGMAR1 (0.71) SIGMAR1KMT2AMEN1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL2427690 0.98 SIGMAR1 (0.71) SIGMAR1KMT2AMEN1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL28444130 0.98 SIGMAR1 (0.71) SIGMAR1KMT2AMEN1ALDH1A1L3MBTL1

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 29 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-9617292-B2 Method for producing novel organometallic complex and amine compound KANTO KAGAKU KABUSHIKI KAISHA (JP) 2017-04-11 US disclosed
US-20160060282-A1 METHOD FOR PRODUCING NOVEL ORGANOMETALLIC COMPLEX AND AMINE COMPOUND KANTO KAGAKU KABUSHIKI KAISHA (JP) 2016-03-03 US disclosed
EP-2990409-A1 METHOD FOR PRODUCING NOVEL ORGANOMETALLIC COMPLEX AND AMINE COMPOUND Kanto Kagaku Kabushiki Kaisha (JP) 2016-03-02 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-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 (5 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-20120108670-A1 FORMOTEROL TARTRATE PROCESS AND POLYMORPH ADRB1, ADRA1B, ADRA1A SIGMAR1 510/4885KMT2A 4759/4885MEN1 4646/4885
US-20120053246-A1 PURIFICATION PROCESS FOR PREPARING HIGHLY PURE ARFORMOTEROL TARTRATE SUBSTANTIALLY FREE OF DESFORMYL IMPURITY ADRB1, ADRB2, ADRA1A SIGMAR1 32/4885KMT2A 2274/4885MEN1 3272/4885
US-20030149304-A1 Formoterol tartrate polymorph ADRB1, ADRA1B, ADRA1A SIGMAR1 798/4885KMT2A 4777/4885MEN1 4373/4885
US-20110313199-A1 PROCESSES FOR PREPARING SUBSTANTIALLY PURE ARFORMOTEROL AND ITS INTERMEDIATES ADRB2, ADRA2A, ADRB1 SIGMAR1 1074/4885KMT2A 324/4885MEN1 1303/4885
US-20160060282-A1 METHOD FOR PRODUCING NOVEL ORGANOMETALLIC COMPLEX AND AMINE COMPOUND GNMT, HNMT, CYP4F11 SIGMAR1 3009/4885KMT2A 148/4885MEN1 201/4885

“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.