Sugi Predict

Sugi Predict / Compounds / Methylephedrine

Methylephedrine

Methylephedrine

SCHEMBL2712293

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 SCHEMBL11959977 1.00 KDM4E (1.00) KDM4EALDH1A1AOC3GAAADRA2C
Methylephedrine SCHEMBL907677 1.00 KDM4E (1.00) KDM4EALDH1A1AOC3GAAADRA2C
Methylephedrine SCHEMBL338478 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 60 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
WO-2023036995-A1 ALKYNYLCARBINOLS WITH HIGH CYTOTOXICITY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-03-16 — — WO disclosed
CN-114249706-A Preparation method of intermediate for synthesizing prostacyclin derivative 常州方圆制药有限公司 2022-03-29 — — CN disclosed
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2017-12-21 — — US disclosed
EP-2627627-B1 PROCESS FOR THE SYNTHESIS OF CHIRAL PROPARGYLIC ALCOHOLS BRISTOL MYERS SQUIBB CO (US) 2017-08-09 — — EP disclosed
US-9724321-B2 Histone deacetylase inhibitors PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 2017-08-08 — — US 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
US-20160143874-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2016-05-26 — — US disclosed
CN-103249725-B The method of synthesis of cyclic carbamate BRISTOL-MYERS SQUIBB CO. (US) 2016-01-20 — — CN disclosed
US-7470820-B2 Substituted cyclohexanones FIRMENICH SA (CH) 2008-12-30 — — US disclosed
US-20080228008-A1 Substituted Cyclohexanones FIRMENICH SA (CH) 2008-09-18 — — US disclosed
US-7332633-B2 Process for the preparation of optically active cyclohexenones FIRMENICH SA (CH) 2008-02-19 — — US disclosed
US-7244853-B2 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-07-17 — — US disclosed
WO-2007010483-A1 SUBSTITUTED CYCLOHEXANONES FIRMENICH SA (CH) 2007-01-25 — — WO disclosed
US-6884893-B1 Method for selectively dissociating cyclic carboxylic acid anhydrides MERCK PATENT GMBH (DE) 2005-04-26 — — US disclosed
EP-1218349-A2 METHOD FOR SELECTIVELY DISSOCIATING CYCLIC CARBOXYLIC ACID ANHYDRIDES MERCK PATENT GmbH (DE) 2002-07-03 — — EP disclosed
WO-2001025215-A2 METHOD FOR SELECTIVELY DISSOCIATING CYCLIC CARBOXYLIC ACID ANHYDRIDES MERCK PATENT GMBH (DE) 2001-04-12 — — WO disclosed
US-4902684-A Benzazepine and benzothiazepine derivatives E. R. SQUIBB & SONS, INC. (US) 1990-02-20 — — US disclosed
WO-1989012633-A1 BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES E.R. SQUIBB & SONS, INC. (US) 1989-12-28 — — 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 (4 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-20160326101-A1 Process for the Synthesis of Chiral Propargylic Alcohols ADH1C, ADH1A, ADH5 KDM4E 2173/4885ALDH1A1 49/4885AOC3 1021/4885
US-20160143874-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 KDM4E 154/4885ALDH1A1 955/4885AOC3 3195/4885
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 KDM4E 172/4885ALDH1A1 764/4885AOC3 2541/4885
US-20080228008-A1 Substituted Cyclohexanones NQO1, CYP2J2, CBR3 KDM4E 1219/4885ALDH1A1 388/4885AOC3 1084/4885

“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.