SCHEMBL4956140

SCHEMBL4956140

FC(F)(F)c1ccnn1C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
CYP19A1 P11511 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
OPRM1 P35372 6/20 0.35
OPRK1 P41145 5/20 0.35
OPRL1 P41146 5/20 0.35
OPRD1 P41143 4/20 0.35
ACHE P22303 1/20 0.35
CCR5 P51681 1/20 0.34
KMT2A Q03164 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
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 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
SCHEMBL4960017 0.79 L3MBTL3 (0.40) ALDH1A1HTTCYP19A1L3MBTL3L3MBTL1
SCHEMBL18556164 0.78 CCR5 (0.41) CYP19A1L3MBTL3L3MBTL1OPRM1OPRK1
SCHEMBL15011216 0.75 SCN9A (0.37) OPRM1OPRK1OPRL1OPRD1CCR5
SCHEMBL4954604 0.72 ALDH1A1 (0.38) ALDH1A1HTTL3MBTL3L3MBTL1OPRM1
SCHEMBL1095396 0.70 OPRM1 (0.35) OPRM1OPRK1OPRL1OPRD1CCR5
SCHEMBL4956153 0.69 CYP19A1 (0.42) CYP19A1L3MBTL3L3MBTL1OPRM1OPRK1
SCHEMBL28172640 0.69 OPRM1 (0.44) ALDH1A1HTTL3MBTL3L3MBTL1OPRM1
SCHEMBL21037758 0.69 GAA (0.41) L3MBTL1KMT2AMEN1
SCHEMBL23036782 0.68 MEN1 (0.33) ALDH1A1KMT2AKCNH2MEN1MAPT
SCHEMBL21503409 0.68 MEN1 (0.33) ALDH1A1KMT2AKCNH2MEN1MAPT

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 ALDH1A1 435/4885HTT 3714/4885CYP19A1 955/4885

“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.