SCHEMBL4955461

SCHEMBL4955461

c1ccc(C(c2ccccc2)N2CC(n3ccc(C4CC4)n3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
CYP19A1 P11511 1/20 0.39
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
OPRM1 P35372 3/20 0.35
OPRK1 P41145 2/20 0.35
OPRL1 P41146 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR2B P41595 2/20 0.35
CCR5 P51681 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 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
SCHEMBL18556116 0.79 OPRM1 (0.40) L3MBTL1L3MBTL3OPRM1OPRK1OPRL1
SCHEMBL22660642 0.76 ALDH1A1 (0.40) FAAHMGLLMEN1KMT2ASMN1; SMN2
SCHEMBL4954604 0.76 ALDH1A1 (0.38) L3MBTL1L3MBTL3OPRM1OPRK1OPRL1
SCHEMBL28949648 0.74 NPC1 (0.42) L3MBTL1FAAHMGLLSMN1; SMN2ALDH1A1
SCHEMBL4956153 0.73 CYP19A1 (0.42) L3MBTL1L3MBTL3CYP19A1FAAHMGLL
SCHEMBL22660700 0.72 ACKR3 (0.43) MEN1KMT2ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL9293015 0.72 CYP19A1 (0.51) L3MBTL1L3MBTL3CYP19A1FAAHMGLL
SCHEMBL22666670 0.71 OPRD1 (0.44) MEN1KMT2ASMN1; SMN2CCR5CYP2D6
SCHEMBL24290451 0.71 FAAH (0.41) L3MBTL1FAAHMGLLSMN1; SMN2TP53
SCHEMBL9293306 0.69 CYP19A1 (0.51) L3MBTL1L3MBTL3CYP19A1FAAHMGLL

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
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
CN-101006083-A Dpp-iv inhibitor SANTHERA PHARMACEUTICALS CH (CH) 2007-07-25 CN 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 L3MBTL1 2585/4885L3MBTL3 3088/4885CYP19A1 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.