SCHEMBL765243

SCHEMBL765243

CNC(C)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.51
ALDH1A1 P00352 3/20 0.50
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.45
ATP1A1 P05023 1/20 0.43
ATP1B1 P05026 1/20 0.43
ATP1A3 P13637 1/20 0.43
ATP1B2 P14415 1/20 0.43
ATP1A2 P50993 1/20 0.43
ATP1B3 P54709 1/20 0.43
FXYD2 P54710 1/20 0.43
ATP1A4 Q13733 1/20 0.43
MAPT P10636 1/20 0.42
EPHX2 P34913 1/20 0.42
SLC6A2 P23975 1/20 0.41
KIF11 P52732 1/20 0.40
GPR139 Q6DWJ6 4/20 0.40

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
SCHEMBL22424343 1.00 PDE2A (0.51) PDE2AALDH1A1SLC6A4SLC6A3L3MBTL1
SCHEMBL10087242 1.00 PDE2A (0.51) PDE2AALDH1A1SLC6A4SLC6A3L3MBTL1
SCHEMBL18476237 0.85 PDE2A (0.51) PDE2AALDH1A1SLC6A4SLC6A3L3MBTL1
SCHEMBL28869406 0.85 PDE2A (0.51) PDE2AALDH1A1SLC6A4SLC6A3L3MBTL1
SCHEMBL10087195 0.83 PDE2A (0.50) PDE2AALDH1A1SLC6A4SLC6A3L3MBTL1
SCHEMBL24016991 0.82 PDE2A (0.49) PDE2AALDH1A1SLC6A4SLC6A3L3MBTL1
SCHEMBL10087188 0.81 PDE2A (0.49) PDE2AALDH1A1SLC6A4SLC6A3L3MBTL1
SCHEMBL10087238 0.80 PDE2A (0.51) PDE2AALDH1A1SLC6A4SLC6A3L3MBTL1
SCHEMBL14180925 0.80 ATP1A1 (0.52) PDE2AALDH1A1SLC6A4SLC6A3ATP1A1
SCHEMBL2056155 0.79 PDE2A (0.58) PDE2AALDH1A1SLC6A4SLC6A3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
EP-2431362-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-03-21 EP disclosed
WO-2010131669-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2010-11-18 WO disclosed
US-7368609-B2 Optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy- substituted phenyl)alkylamine N-monoalkyl derivatives and process for producing same CENTRAL GLASS COMPANY, LIMITED (JP) 2008-05-06 US disclosed
US-20070142670-A1 Optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy- substituted phenyl)alkylamine N-monoalkyl derivatives and process for producing same CENTRAL GLASS CO., LTD. (JP) 2007-06-21 US disclosed
US-20070142670-A1 Optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy- substituted phenyl)alkylamine N-monoalkyl derivatives and process for producing same CENTRAL GLASS CO., LTD. (JP) 2007-06-21 US disclosed
US-7186865-B2 Reacting optically active secondary amine with alkylation agent in presence of a base, thereby converting the secondary amine into an optically active tertiary amine and subjecting the tertiary amine to hydrogenolysis, producing the N-monoalkyl derivative; intermediates for drugs, agriculture CENTRAL GLASS COMPANY, LIMITED (JP) 2007-03-06 US disclosed
US-7186865-B2 Reacting optically active secondary amine with alkylation agent in presence of a base, thereby converting the secondary amine into an optically active tertiary amine and subjecting the tertiary amine to hydrogenolysis, producing the N-monoalkyl derivative; intermediates for drugs, agriculture CENTRAL GLASS COMPANY, LIMITED (JP) 2007-03-06 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 (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-20070142670-A1 Optically active 1-(fluoro-, trifluoromethyl- or trifluoromethoxy- substituted phenyl)alkylamine N-monoalkyl derivatives and process for producing same NAT1, AFF1, PNMT PDE2A 1623/4885ALDH1A1 918/4885SLC6A4 1394/4885

“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.