SCHEMBL2847208

SCHEMBL2847208

O=C(c1ccccn1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
AHR P35869 1/20 0.44
CNR2 P34972 2/20 0.43
MAPT P10636 2/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
GRM4 Q14833 2/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
TLR7 Q9NYK1 1/20 0.41
AURKA O14965 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
PRKX P51817 1/20 0.41
PRKG1 Q13976 1/20 0.41
MAPKAPK5 Q8IW41 1/20 0.41
SRPK1 Q96SB4 1/20 0.41
CYP3A4 P08684 3/20 0.41

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
SCHEMBL11289917 0.86 CYP2D6 (0.46) CNR2MAPTNR1H2NR1H3MEN1
SCHEMBL18234116 0.85 CTNNB1 (0.44) CTNNB1WNT3AAHRCNR2NR1H2
SCHEMBL7075474 0.79 EIF4A1 (0.49) MAPTNR1H2NR1H3MEN1ALDH1A1
SCHEMBL8553165 0.79 CYP2D6 (0.46) MAPTNR1H2NR1H3MEN1ALDH1A1
SCHEMBL10965843 0.79 KMT2A (0.47) AHRMAPTGRM4MEN1ALDH1A1
SCHEMBL9667242 0.77 CTNNB1 (0.47) CTNNB1WNT3ACNR2NR1H2NR1H3
SCHEMBL1124157 0.76 NR1H2 (0.52) CTNNB1WNT3ACNR2NR1H2NR1H3
SCHEMBL8556340 0.76 KCNH2 (0.45) MAPTNR1H2NR1H3MEN1ALDH1A1
SCHEMBL7221372 0.76 CYP2D6 (0.46) MAPTNR1H2NR1H3MEN1ALDH1A1
Hydrochloric Acid SCHEMBL10668868 0.75 CTNNB1 (0.67) CTNNB1WNT3ACNR2GRM4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233481-A1 Method for making mefloquine Cilag Ltd. (CH) 2010-09-29 EP claimed
EP-0092185-B1 MEFLOQUINE-HYDROCHLORIDE AND PROCESS FOR ITS HIGH PURITY PREPARATION F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-04-20 EP claimed
US-4507482-A TREATMENT WITH ALCOHOLS AND WATER HOFFMANN-LA ROCHE INC. (US) 1985-03-26 US claimed
EP-0092185-A2 Mefloquine-hydrochloride and process for its high purity preparation F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-10-26 EP claimed
EP-0026894-B1 PROCESS FOR THE PREPARATION OF ERYTHRO-ALPHA-2-PIPERIDYL-2,8-BIS (TRIFLUOROMETHYL)-4-QUINOLINE METHANOL BASF Aktiengesellschaft (DE) 1983-03-30 EP claimed
EP-0026894-A1 Process for the preparation of erythro-alpha-2-piperidyl-2,8-bis (trifluoromethyl)-4-quinoline methanol BASF Aktiengesellschaft (DE) 1981-04-15 EP claimed
US-20200197480-A1 COMBINATION COMPRISING A PARTICULAR POLYMYXIN HELPERBY THERAPEUTICS LTD (GB) 2020-06-25 US disclosed
EP-2233481-A1 Method for making mefloquine Cilag Ltd. (CH) 2010-09-29 EP disclosed
EP-2233481-A1 Method for making mefloquine Cilag Ltd. (CH) 2010-09-29 EP disclosed
CN-1250540-C Improved single-reactor synthesis of [2,8-di(trifluoromethyl)-4-quinolyl]-2-pyridyl methyl ketone and methylfluoro quine NAT PHARMACEUTICAL EDUCATION A (IN) 2006-04-12 CN disclosed
US-6664397-B1 Administering to subject effective dose of (+)-mefloquine or pharmaceutically acceptable salt thereof substantially free of (-)-enantiomer; reduced side effects VERNALIS RESEARCH LIMITED (GB) 2003-12-16 US disclosed
US-6500955-B1 CONDENSING A HALO- QUINOLINE WITH AN ALPHA-PICOLYL DERIVATIVES IN THE PRESENCE OF A SOLVENT AND A PHASE TRANSFER CATALYST AT -10 TO 90 DEGREE C. TO FORM (2,8-BIS (TRIFLUOROMETHYL)-4-QUINOLINYL)-2-PYRIDINYLMETHANONE NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH (IN) 2002-12-31 US disclosed
US-6500955-B1 CONDENSING A HALO- QUINOLINE WITH AN ALPHA-PICOLYL DERIVATIVES IN THE PRESENCE OF A SOLVENT AND A PHASE TRANSFER CATALYST AT -10 TO 90 DEGREE C. TO FORM (2,8-BIS (TRIFLUOROMETHYL)-4-QUINOLINYL)-2-PYRIDINYLMETHANONE NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH (IN) 2002-12-31 US disclosed
US-4507482-A TREATMENT WITH ALCOHOLS AND WATER HOFFMANN-LA ROCHE INC. (US) 1985-03-26 US disclosed
EP-0092185-A2 Mefloquine-hydrochloride and process for its high purity preparation F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-10-26 EP disclosed
EP-0026894-B1 PROCESS FOR THE PREPARATION OF ERYTHRO-ALPHA-2-PIPERIDYL-2,8-BIS (TRIFLUOROMETHYL)-4-QUINOLINE METHANOL BASF Aktiengesellschaft (DE) 1983-03-30 EP disclosed
US-4327215-A Preparation of erythio-αpiperid-2-yl-2,8-bis-trifluoro-methyl)-quinolin-4-yl-methanol BASF AKTIENGESELLSCHAFT (DE) 1982-04-27 US disclosed
EP-0049776-A2 4-Quinoline methane derivatives, their preparation and their use in the preparation of substances with a pharmacological activity BASF Aktiengesellschaft (DE) 1982-04-21 EP disclosed
EP-0026894-A1 Process for the preparation of erythro-alpha-2-piperidyl-2,8-bis (trifluoromethyl)-4-quinoline methanol BASF Aktiengesellschaft (DE) 1981-04-15 EP disclosed
EP-0026894-A1 Process for the preparation of erythro-alpha-2-piperidyl-2,8-bis (trifluoromethyl)-4-quinoline methanol BASF Aktiengesellschaft (DE) 1981-04-15 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 (1 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-20200197480-A1 COMBINATION COMPRISING A PARTICULAR POLYMYXIN VIP, TLR5, TLR4 CTNNB1 4048/4885WNT3A 4444/4885AHR 2061/4885

“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.