SCHEMBL4955485

SCHEMBL4955485

FC(F)(F)c1ccnn1C1CNC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.38
HTR2A P28223 5/20 0.38
HTR2B P41595 5/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SPR P35270 1/20 0.33
SCN9A Q15858 4/20 0.32
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
TGFBR1 P36897 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL19075566 0.82 MEN1 (0.38) HTR2CHTR2AHTR2BMEN1ALDH1A1
SCHEMBL30146873 0.79 PIK3CD (0.38) MEN1ALDH1A1MAPTPKMALOX15
SCHEMBL30146858 0.79 PIK3CD (0.38) MEN1ALDH1A1MAPTPKMALOX15
SCHEMBL23036782 0.77 MEN1 (0.33) MEN1ALDH1A1MAPTPKMALOX15
SCHEMBL21503409 0.77 MEN1 (0.33) MEN1ALDH1A1MAPTPKMALOX15
SCHEMBL31389987 0.77 LRRK2 (0.43) MEN1ALDH1A1MAPTPKMALOX15
Hydrochloric Acid SCHEMBL21492715 0.76 MEN1 (0.33) MEN1ALDH1A1MAPTPKMALOX15
Hydrochloric Acid SCHEMBL21492713 0.76 MEN1 (0.33) MEN1ALDH1A1MAPTPKMALOX15
SCHEMBL21037755 0.75 GAA (0.59) HTR2CHTR2AMEN1ALDH1A1MAPT
SCHEMBL4954571 0.73 ALDH1A1 (0.42) HTR2CHTR2AHTR2BMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015146-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-01-17 US disclosed
US-20080015146-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-01-17 US disclosed
US-20080015146-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-01-17 US disclosed
EP-1786806-A1 DPP-IV INHIBITORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-05-23 EP disclosed
WO-2005121131-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2005-12-22 WO disclosed
WO-2005121131-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2005-12-22 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-20080015146-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP3 HTR2C 3095/4885HTR2A 2229/4885HTR2B 1073/4885

“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.