SCHEMBL4236164

SCHEMBL4236164

Cc1cn(-c2ccc(Br)cc2)c(=NC(=O)N2CC[C@@H](F)C2)s1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.44
DPP7 Q9UHL4 11/20 0.40
RXFP1 Q9HBX9 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
DPP8 Q6V1X1 3/20 0.32
DPP9 Q86TI2 2/20 0.32
KCNH2 Q12809 1/20 0.32
HSD11B1 P28845 1/20 0.31
CHRM4 P08173 1/20 0.31
THRB P10828 1/20 0.30

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
SCHEMBL4236083 1.00 DPP4 (0.44) DPP4DPP7RXFP1CNR1CNR2
SCHEMBL2867029 0.91 DPP4 (0.38) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL2867031 0.91 DPP4 (0.38) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL2866161 0.90 DPP4 (0.41) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL2866165 0.90 DPP4 (0.41) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL2867301 0.89 DPP4 (0.33) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL2867297 0.89 DPP4 (0.33) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL4236056 0.89 DPP7 (0.40) DPP4DPP7CNR1CNR2
SCHEMBL4236051 0.89 DPP7 (0.40) DPP4DPP7CNR1CNR2
SCHEMBL2862530 0.88 DPP4 (0.44) DPP4DPP7DPP8DPP9

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 10 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
US-8383657-B2 Thiazolylidine urea and amide derivatives and methods of use thereof ABBOTT LABORATORIES (US) 2013-02-26 US claimed
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US 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 DPP4 690/4885DPP7 798/4885RXFP1 722/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 DPP4 1647/4885DPP7 2524/4885RXFP1 2242/4885

“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.