SCHEMBL4954604

SCHEMBL4954604

FC(F)(F)c1ccn(C2CN(C(c3ccccc3)c3ccccc3)C2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A9 P48067 2/20 0.36
OPRM1 P35372 3/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
OPRL1 P41146 2/20 0.35
ACHE P22303 1/20 0.35
CCR5 P51681 1/20 0.34
CYP2D6 P10635 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL18556116 0.78 OPRM1 (0.40) KMT2AMEN1L3MBTL3L3MBTL1SLC6A9
SCHEMBL4955461 0.76 L3MBTL1 (0.40) ALDH1A1KMT2AMEN1L3MBTL3L3MBTL1
SCHEMBL22660642 0.75 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1SLC6A9OPRD1
SCHEMBL22989672 0.74 EIF2AK4 (0.35) HTR2AHTR2CHTR2B
SCHEMBL4956140 0.72 ALDH1A1 (0.38) ALDH1A1HTTKMT2AMEN1L3MBTL3
SCHEMBL4956153 0.72 CYP19A1 (0.42) KMT2AMEN1L3MBTL3L3MBTL1OPRM1
SCHEMBL9293015 0.71 CYP19A1 (0.51) KMT2AMEN1L3MBTL3L3MBTL1OPRM1
SCHEMBL4956499 0.71 HTR2C (0.48) HTR2AHTR2CHTR2BKCNH2
SCHEMBL22666670 0.70 OPRD1 (0.44) KMT2AMEN1SLC6A9OPRD1ACHE
SCHEMBL950746 0.69 EIF2AK4 (0.40) ALDH1A1ACHEHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013010453-A1 CHEMOKING RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2013-01-24 WO 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
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 ALDH1A1 435/4885HTT 3714/4885KMT2A 2144/4885

“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.