SCHEMBL3801151

SCHEMBL3801151

C=CCOC(=O)C=C(N)Cc1cc(F)c(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
APP P05067 1/20 0.36
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
HTR2C P28335 4/20 0.35
HTR2B P41595 4/20 0.35
ADRB2 P07550 2/20 0.35
HTR1A P08908 2/20 0.35
CHRM5 P08912 2/20 0.35
ADRA2A P08913 2/20 0.35
DRD2 P14416 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
DRD4 P21917 2/20 0.35
HRH2 P25021 2/20 0.35
HTR2A P28223 2/20 0.35
SLC6A4 P31645 2/20 0.35

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
SCHEMBL3801146 1.00 MAPT (0.39) MAPTCACNA1BAPBA1APPTSHR
SCHEMBL440648 0.84 NPSR1 (0.38) MAPTPOLBMAPK1KCNH2CYP3A4
SCHEMBL30607053 0.84 NPSR1 (0.38) MAPTPOLBMAPK1KCNH2CYP3A4
SCHEMBL409968 0.84 NPSR1 (0.38) MAPTPOLBMAPK1KCNH2CYP3A4
SCHEMBL29738305 0.81 DPP4 (0.41) DPP4MMP2MMP1MMP9MMP12
SCHEMBL742800 0.81 DPP4 (0.41) DPP4MMP2MMP1MMP9MMP12
SCHEMBL2861837 0.81 DPP4 (0.41) DPP4MMP2MMP1MMP9MMP12
SCHEMBL18752139 0.80 ATM (0.41) MAPTAPPTSHRCYP3A4HPGD
SCHEMBL19500636 0.79 HCAR2 (0.44) MAPK1ALDH1A1DPP4MMP2MMP1
SCHEMBL749408 0.77 HDAC1 (0.35) CYP3A4DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010122578-A2 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS INTERMEDIATES MSN LABORATORIES LIMITED (IN) 2010-10-28 WO claimed
US-20090192326-A1 Preparation of sitagliptin intermediate TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-07-30 US claimed
WO-2009064476-A1 PREPARATION OF SITAGLIPTIN INTERMEDIATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-22 WO claimed
WO-2013114173-A1 A NOVEL PROCESS FOR THE PREPARATION OF SITAGLIPTIN SMILAX LABORATORIES LIMITED (IN) 2013-08-08 WO disclosed
WO-2010122578-A2 PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS INTERMEDIATES MSN LABORATORIES LIMITED (IN) 2010-10-28 WO disclosed
US-20090192326-A1 Preparation of sitagliptin intermediate TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-07-30 US disclosed
US-20090192326-A1 Preparation of sitagliptin intermediate TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-07-30 US disclosed
WO-2009064476-A1 PREPARATION OF SITAGLIPTIN INTERMEDIATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-22 WO disclosed
WO-2009064476-A1 PREPARATION OF SITAGLIPTIN INTERMEDIATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-22 WO 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-20090192326-A1 Preparation of sitagliptin intermediate DPP4, DPP7, DPP3 MAPT 3744/4885CACNA1B 2748/4885APBA1 572/4885

“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.