(S,S)-Mefloquine

(S,S)-Mefloquine

SCHEMBL7278974

O[C@@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 1.00
CYP2D6 P10635 6/20 1.00
ADORA2A P29274 5/20 1.00
ADORA1 P30542 5/20 1.00
CYP3A4 P08684 4/20 1.00
CYP1A2 P05177 4/20 1.00
CYP2C19 P33261 3/20 1.00
ADORA3 P0DMS8 2/20 1.00
ADORA2B P29275 1/20 1.00
ABCG2 Q9UNQ0 1/20 1.00
KDM4E B2RXH2 1/20 1.00
NR1I2 O75469 1/20 1.00
LMNA P02545 1/20 1.00
TP53 P04637 1/20 1.00
HTR1A P08908 1/20 1.00
TSHR P16473 1/20 1.00
CNR1 P21554 1/20 1.00
GLRA1 P23415 1/20 1.00
SLC6A2 P23975 1/20 1.00
HTR2A P28223 1/20 1.00

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
(S,R)-Mefloquine SCHEMBL32385911 1.00 KCNH2 (1.00) KCNH2CYP2D6ADORA2AADORA1CYP3A4
(S,R)-Mefloquine SCHEMBL16702641 1.00 KCNH2 (1.00) KCNH2CYP2D6ADORA2AADORA1CYP3A4
Mefloquine SCHEMBL8575605 1.00 KCNH2 (1.00) KCNH2CYP2D6ADORA2AADORA1CYP3A4
(R,R)-Mefloquine SCHEMBL21781 1.00 KCNH2 (1.00) KCNH2CYP2D6ADORA2AADORA1CYP3A4
Mefloquine SCHEMBL17087807 1.00 KCNH2 (1.00) KCNH2CYP2D6ADORA2AADORA1CYP3A4
Mefloquine SCHEMBL3625982 1.00 KCNH2 (1.00) KCNH2CYP2D6ADORA2AADORA1CYP3A4
Mefloquine SCHEMBL21782 1.00 KCNH2 (1.00) KCNH2CYP2D6ADORA2AADORA1CYP3A4
Mefloquine SCHEMBL7130867 1.00 KCNH2 (1.00) KCNH2CYP2D6ADORA2AADORA1CYP3A4
(S,R)-Mefloquine SCHEMBL21780 1.00 KCNH2 (1.00) KCNH2CYP2D6ADORA2AADORA1CYP3A4
Mefloquine SCHEMBL29433990 1.00 KCNH2 (1.00) KCNH2CYP2D6ADORA2AADORA1CYP3A4

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3808348-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) Biogen MA Inc. (US) 2021-04-21 EP disclosed
EP-3025714-B9 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) BIOGEN MA INC (US) 2020-11-18 EP disclosed
EP-3025714-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PROGRESSIVE MULTIFOCAL LEUKOENCEPHALOPATHY (PML) BIOGEN MA INC (US) 2020-07-15 EP disclosed
US-20110039888-A1 ASYMMETRIC ALPHA FUNCTIONALIZATION AND ALPHA, ALPHA BISFUNCTIONALIZATION OF ALDEHYDES AND KETONES COLTART DON M 2011-02-17 US disclosed
US-20110039888-A1 ASYMMETRIC ALPHA FUNCTIONALIZATION AND ALPHA, ALPHA BISFUNCTIONALIZATION OF ALDEHYDES AND KETONES COLTART DON M 2011-02-17 US disclosed
WO-2009131657-A1 ASYMMETRIC ALPHA FUNCTIONALIZATION AND ALPHA, ALPHA BISFUNCTIONALIZATION OF ALDEHYDES AND KETONES DUKE UNIVERSITY (US) 2009-10-29 WO disclosed
US-20070179123-A1 Methods and compositions for treating diseases associated with pathogenic proteins CHIANG PETER K 2007-08-02 US disclosed
US-20070179123-A1 Methods and compositions for treating diseases associated with pathogenic proteins CHIANG PETER K 2007-08-02 US disclosed
WO-2007056580-A2 METHODS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH PATHOGENIC PROTEINS PHARMADYN, INC. (US) 2007-05-18 WO disclosed
US-20070078161-A1 Crystalline forms of (+)- and (-) erythro-mefloquine hydrochloride SOSEI R&D LTD. (GB) 2007-04-05 US disclosed
US-20070078161-A1 Crystalline forms of (+)- and (-) erythro-mefloquine hydrochloride SOSEI R&D LTD. (GB) 2007-04-05 US disclosed
EP-0553778-B1 Asymmetric hydrogenation HOFFMANN LA ROCHE (CH) 2001-12-12 EP disclosed
US-5514805-A ASSYMETRIC HYDROGENATION OF A PYRIDINECARBONYL COMPOUND, RHODIUM PHOSPHINE CATALYST HOFFMANN-LA ROCHE INC. (US) 1996-05-07 US disclosed
EP-0553778-A1 Asymmetric hydrogenation F. HOFFMANN-LA ROCHE AG (CH) 1993-08-04 EP 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 (3 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-20110039888-A1 ASYMMETRIC ALPHA FUNCTIONALIZATION AND ALPHA, ALPHA BISFUNCTIONALIZATION OF ALDEHYDES AND KETONES ALDH3A1, ALDH1A1, ADH1A KCNH2 1281/4885CYP2D6 924/4885ADORA2A 2396/4885
US-20070179123-A1 Methods and compositions for treating diseases associated with pathogenic proteins PRNP, APP, PSEN1 KCNH2 4124/4885CYP2D6 4061/4885ADORA2A 3182/4885
US-20070078161-A1 Crystalline forms of (+)- and (-) erythro-mefloquine hydrochloride YTHDF3, EML4, YTHDF1 KCNH2 410/4885CYP2D6 250/4885ADORA2A 2478/4885

“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.