SCHEMBL719011

SCHEMBL719011

COc1ccc(C[C@@H](C)NCc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.74
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
L3MBTL1 Q9Y468 2/20 0.63
SLC2A1 P11166 1/20 0.54
HTT P42858 1/20 0.54
BCHE P06276 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
LTA4H P09960 1/20 0.53

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
SCHEMBL8092326 1.00 SIGMAR1 (0.74) SIGMAR1MEN1KMT2AL3MBTL1SLC2A1
SCHEMBL2795948 1.00 SIGMAR1 (0.74) SIGMAR1MEN1KMT2AL3MBTL1SLC2A1
SCHEMBL593666 1.00 SIGMAR1 (0.74) SIGMAR1MEN1KMT2AL3MBTL1SLC2A1
Hydrochloric Acid SCHEMBL1134234 0.98 SIGMAR1 (0.72) SIGMAR1MEN1KMT2AL3MBTL1SLC2A1
Hydrochloric Acid SCHEMBL1134233 0.98 SIGMAR1 (0.72) SIGMAR1MEN1KMT2AL3MBTL1SLC2A1
SCHEMBL3341840 0.92 SIGMAR1 (0.62) SIGMAR1MEN1KMT2AL3MBTL1SLC2A1
SCHEMBL3341844 0.92 SIGMAR1 (0.62) SIGMAR1MEN1KMT2AL3MBTL1SLC2A1
SCHEMBL3346880 0.92 SIGMAR1 (0.62) SIGMAR1MEN1KMT2AL3MBTL1SLC2A1
SCHEMBL6539539 0.89 SIGMAR1 (0.59) SIGMAR1MEN1KMT2AL3MBTL1SLC2A1
SCHEMBL3630860 0.88 SIGMAR1 (0.57) SIGMAR1MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114544809-B HPLC (high performance liquid chromatography) detection method for chiral purity of arformoterol intermediate and enantiomer thereof 汉瑞药业(荆门)有限公司 2022-12-09 CN claimed
CN-114456078-B Preparation method of (R) -N-benzyl-1- (4-methoxyphenyl) propyl-2-amine 汉瑞药业(荆门)有限公司 2022-09-16 CN claimed
CN-114456078-A Preparation method of (R) -N-benzyl-1- (4-methoxyphenyl) propan-2-amine 汉瑞药业(荆门)有限公司 2022-05-10 CN claimed
CN-114456078-B Preparation method of (R) -N-benzyl-1- (4-methoxyphenyl) propyl-2-amine 汉瑞药业(荆门)有限公司 2022-09-16 CN disclosed
CN-114456078-B Preparation method of (R) -N-benzyl-1- (4-methoxyphenyl) propyl-2-amine 汉瑞药业(荆门)有限公司 2022-09-16 CN disclosed
CN-114456078-B Preparation method of (R) -N-benzyl-1- (4-methoxyphenyl) propyl-2-amine 汉瑞药业(荆门)有限公司 2022-09-16 CN disclosed
CN-114456078-A Preparation method of (R) -N-benzyl-1- (4-methoxyphenyl) propan-2-amine 汉瑞药业(荆门)有限公司 2022-05-10 CN disclosed
CN-114456078-A Preparation method of (R) -N-benzyl-1- (4-methoxyphenyl) propan-2-amine 汉瑞药业(荆门)有限公司 2022-05-10 CN disclosed
CN-114456078-A Preparation method of (R) -N-benzyl-1- (4-methoxyphenyl) propan-2-amine 汉瑞药业(荆门)有限公司 2022-05-10 CN disclosed
US-10925840-B2 Use of fenoterol and fenoterol analogues in the treatment of glioblastomas and astrocytomas THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-23 US disclosed
US-20200197332-A1 USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-06-25 US 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
EP-1093450-A1 DESFORMOTEROL AND PROCESS FOR ITS PREPARATION Sepracor Inc. (US) 2001-04-25 EP disclosed
WO-2000067741-A2 (S,R) FORMOTEROL METHODS AND COMPOSITIONS SEPRACOR INC. (US) 2000-11-16 WO 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
WO-1999067198-A1 DESFORMOTEROL AND PROCESS FOR ITS PREPARATION SEPRACOR INC. (US) 1999-12-29 WO 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
EP-0938467-A1 PROCESS FOR THE PREPARATION OF OPTICALLY PURE ISOMERS OF FORMOTEROL SEPRACOR, INC. (US) 1999-09-01 EP disclosed
WO-1998021175-A1 PROCESS FOR THE PREPARATION OF OPTICALLY PURE ISOMERS OF FORMOTEROL SEPRACOR, INC. (US) 1998-05-22 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 (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-20200197332-A1 USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS ADRB2, ADRB1, ADRA2A SIGMAR1 363/4885MEN1 1082/4885KMT2A 3251/4885
US-10925840-B2 Use of fenoterol and fenoterol analogues in the treatment of glioblastomas and astrocytomas ADRB2, ADRB1, ADRA2A SIGMAR1 363/4885MEN1 1082/4885KMT2A 3251/4885

“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.