SCHEMBL2837520

SCHEMBL2837520

Cc1cn(-c2cc(C(F)(F)F)ccn2)/c(=N/C(=O)C(C)(C)C)s1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
ADRB1 P08588 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CNR1 P21554 3/20 0.35
ACACB O00763 2/20 0.35
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL2837521 1.00 CNR2 (0.41) CNR2MAPTALDH1A1NPSR1PPARG
SCHEMBL2841502 0.83 MAPT (0.42) CNR2MAPTALDH1A1NPSR1KDM4E
SCHEMBL2841500 0.83 MAPT (0.42) CNR2MAPTALDH1A1NPSR1KDM4E
SCHEMBL2866467 0.83 MAPT (0.43) CNR2MAPTALDH1A1NPSR1PPARG
SCHEMBL2866463 0.83 MAPT (0.43) CNR2MAPTALDH1A1NPSR1PPARG
SCHEMBL2872130 0.82 ALDH1A1 (0.39) CNR2ALDH1A1NPSR1PPARGACACB
SCHEMBL2872126 0.82 ALDH1A1 (0.39) CNR2ALDH1A1NPSR1PPARGACACB
SCHEMBL2862528 0.80 ALDH1A1 (0.41) CNR2ALDH1A1NPSR1PPARGCNR1
SCHEMBL2862523 0.80 ALDH1A1 (0.41) CNR2ALDH1A1NPSR1PPARGCNR1
SCHEMBL9428110 0.80 CNR2 (0.50) CNR2ALDH1A1NPSR1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245020-B1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-01-15 EP claimed
EP-2245020-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-03 EP claimed
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US claimed
WO-2009086163-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-07-09 WO claimed
WO-2009082698-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-07-02 WO claimed
US-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-06-25 US claimed
EP-2245020-B1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-01-15 EP disclosed
US-8383657-B2 Thiazolylidine urea and amide derivatives and methods of use thereof ABBOTT LABORATORIES (US) 2013-02-26 US disclosed
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US disclosed
WO-2009082698-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-07-02 WO disclosed
US-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-06-25 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 (2 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-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF NMUR1, NMUR2, PAM CNR2 156/4885MAPT 465/4885ALDH1A1 2649/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 CNR2 91/4885MAPT 290/4885ALDH1A1 2032/4885

“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.