(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
Mefloquine SCHEMBL7130867 1.00 KCNH2 (1.00) KCNH2CYP2D6ADORA2AADORA1CYP3A4
Mefloquine SCHEMBL21782 1.00 KCNH2 (1.00) KCNH2CYP2D6ADORA2AADORA1CYP3A4
(S,R)-Mefloquine SCHEMBL21780 1.00 KCNH2 (1.00) KCNH2CYP2D6ADORA2AADORA1CYP3A4
Mefloquine SCHEMBL3625982 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 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.

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