Methylephedrine

Methylephedrine

SCHEMBL338478

C[C@H]([C@H](O)c1ccccc1)N(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 1.00
ALDH1A1 P00352 2/20 1.00
AOC3 Q16853 5/20 0.70
GAA P10253 1/20 0.56
ADRA2C P18825 2/20 0.56
ADRA2A P08913 1/20 0.56
LMNA P02545 1/20 0.56
HIF1A Q16665 1/20 0.56
CHRM2 P08172 1/20 0.52
ADRA1A P35348 1/20 0.52
RGS12 O14924 1/20 0.52
GLA P06280 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
PKM P14618 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
NFKB1 P19838 1/20 0.52

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
Methylephedrine SCHEMBL99674 1.00 KDM4E (1.00) KDM4EALDH1A1AOC3GAAADRA2C
Methylephedrine SCHEMBL907777 1.00 KDM4E (1.00) KDM4EALDH1A1AOC3GAAADRA2C
Methylephedrine SCHEMBL7496690 1.00 KDM4E (1.00) KDM4EALDH1A1AOC3GAAADRA2C
Methylephedrine SCHEMBL338479 1.00 KDM4E (1.00) KDM4EALDH1A1AOC3GAAADRA2C
Methylephedrine SCHEMBL2712293 1.00 KDM4E (1.00) KDM4EALDH1A1AOC3GAAADRA2C
Methylephedrine SCHEMBL11959977 1.00 KDM4E (1.00) KDM4EALDH1A1AOC3GAAADRA2C
Methylephedrine SCHEMBL907677 1.00 KDM4E (1.00) KDM4EALDH1A1AOC3GAAADRA2C
Methylephedrine SCHEMBL99673 1.00 KDM4E (1.00) KDM4EALDH1A1AOC3GAAADRA2C
Methylephedrine SCHEMBL8083321 0.98 KDM4E (0.96) KDM4EALDH1A1AOC3GAAADRA2C
Methylephedrine SCHEMBL68363 0.98 ALDH1A1 (0.96) KDM4EALDH1A1AOC3GAAADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627627-B1 PROCESS FOR THE SYNTHESIS OF CHIRAL PROPARGYLIC ALCOHOLS BRISTOL MYERS SQUIBB CO (US) 2017-08-09 EP claimed
US-11059799-B2 Process for preparation of eribulin and intermediates thereof DR. REDDY'S LABORATORIES LIMITED. (IN) 2021-07-13 US disclosed
US-10836776-B2 Process for preparation of eribulin and intermediates thereof DR. REDDY'S LABORATORIES LIMITED (IN) 2020-11-17 US disclosed
US-20190276470-A1 PROCESS FOR PREPARATION OF ERIBULIN AND INTERMEDIATES THEREOF DR. REDDY'S LABORATORIES LIMITED (IN) 2019-09-12 US disclosed
US-20190177291-A1 PROCESS FOR PREPARATION OF ERIBULIN AND INTERMEDIATES THEREOF DR. REDDY'S LABORATORIES LIMITED (IN) 2019-06-13 US disclosed
WO-2017203459-A1 PROCESS FOR PREPARATION OF ERIBULIN AND INTERMEDIATES THEREOF DR. REDDY'S LABORATORIES LIMITED (IN) 2017-11-30 WO disclosed
EP-2627627-B1 PROCESS FOR THE SYNTHESIS OF CHIRAL PROPARGYLIC ALCOHOLS BRISTOL MYERS SQUIBB CO (US) 2017-08-09 EP disclosed
EP-3124490-A1 HIGH STABILITY POLYIONIC LIQUID SALTS Sigma-Aldrich Co. LLC (US) 2017-02-01 EP disclosed
EP-2627643-B1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES BRISTOL MYERS SQUIBB CO (US) 2016-11-23 EP disclosed
US-20160326101-A1 Process for the Synthesis of Chiral Propargylic Alcohols BRISTOL MYERS SQUIBB CO (US) 2016-11-10 US disclosed
WO-2012048886-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES LONZA LTD (CH) 2012-04-19 WO disclosed
WO-2012048887-A1 PROCESS FOR THE SYNTHESIS OF CHIRAL PROPARGYLIC ALCOHOLS LONZA LTD (CH) 2012-04-19 WO disclosed
WO-2012048884-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES LONZA LTD (CH) 2012-04-19 WO disclosed
US-20120083603-A1 HIGH STABILITY POLYIONIC LIQUID SALTS SIGMA-ALDRICH CO. LLC (US) 2012-04-05 US disclosed
US-8097721-B2 polycationic or polyanionic molecules; use as stationary phases in gas chromatography, and as a reagent in electrospray ionization-mass spectrometry (ESI-MS); thermal stability; tris(anion) such as tris(sulfonate) or tris(cation) groups such as imidazolium, pyrrolidinium, ammonium SIGMA-ALDRICH CO. LLC (US) 2012-01-17 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
US-20110009648-A1 Carbonyl Asymmetric Alkylation SANDOZ AG (CH) 2011-01-13 US disclosed
US-20110009648-A1 Carbonyl Asymmetric Alkylation SANDOZ AG (CH) 2011-01-13 US disclosed
US-20090163728-A1 Processes for Highly Enantio- and Diastereoselective Synthesis of Acyclic Epoxy Alcohols and Allylic Epoxy Alcohols THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-06-25 US disclosed
US-20080210858-A1 High Stability Polyionic Liquid Salts SIGMA-ALDRICH CO. NEWCO INC. 2008-09-04 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 (10 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-11059799-B2 Process for preparation of eribulin and intermediates thereof ERLIN1, ERLIN2, MAN1B1 KDM4E 3375/4885ALDH1A1 1325/4885AOC3 3546/4885
US-20160326101-A1 Process for the Synthesis of Chiral Propargylic Alcohols ADH1C, ADH1A, ADH5 KDM4E 2173/4885ALDH1A1 49/4885AOC3 1021/4885
US-10836776-B2 Process for preparation of eribulin and intermediates thereof ERLIN1, ERLIN2, DHPS KDM4E 2804/4885ALDH1A1 1861/4885AOC3 4182/4885
US-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 KDM4E 3330/4885ALDH1A1 3778/4885AOC3 3412/4885
US-20080210858-A1 High Stability Polyionic Liquid Salts PUF60, POLI, PARG KDM4E 4398/4885ALDH1A1 4720/4885AOC3 4342/4885
US-20190177291-A1 PROCESS FOR PREPARATION OF ERIBULIN AND INTERMEDIATES THEREOF ERLIN1, ERLIN2, MAN1B1 KDM4E 3375/4885ALDH1A1 1325/4885AOC3 3546/4885
US-20120083603-A1 HIGH STABILITY POLYIONIC LIQUID SALTS PUF60, POLI, PARG KDM4E 4398/4885ALDH1A1 4720/4885AOC3 4342/4885
US-20110009648-A1 Carbonyl Asymmetric Alkylation COASY, ADH5, SI KDM4E 880/4885ALDH1A1 53/4885AOC3 345/4885
US-20190276470-A1 PROCESS FOR PREPARATION OF ERIBULIN AND INTERMEDIATES THEREOF ERLIN1, ERLIN2, DHPS KDM4E 2804/4885ALDH1A1 1861/4885AOC3 4182/4885
US-20090163728-A1 Processes for Highly Enantio- and Diastereoselective Synthesis of Acyclic Epoxy Alcohols and Allylic Epoxy Alcohols ADH1C, ADH1A, ADH5 KDM4E 912/4885ALDH1A1 20/4885AOC3 49/4885

“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.