SCHEMBL4960017

SCHEMBL4960017

c1ccc(C(c2ccccc2)N2CC(n3nccc3C3CC3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OPRM1 P35372 3/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
CYP19A1 P11511 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR5 P51681 1/20 0.37
PDE9A O76083 1/20 0.35
HTR2B P41595 4/20 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
CYP2D6 P10635 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
SCHEMBL18556164 0.79 CCR5 (0.41) L3MBTL3L3MBTL1OPRM1OPRK1OPRL1
SCHEMBL4956140 0.79 ALDH1A1 (0.38) L3MBTL3L3MBTL1OPRM1OPRK1OPRL1
SCHEMBL21577454 0.74 ALDH1A1 (0.43) MEN1KMT2ASMN1; SMN2DRD3ALDH1A1
SCHEMBL15031628 0.71 CCR5 (0.36) OPRM1OPRK1OPRL1CCR5OPRD1
SCHEMBL4956153 0.70 CYP19A1 (0.42) L3MBTL3L3MBTL1OPRM1OPRK1OPRL1
SCHEMBL21577447 0.69 ALDH1A1 (0.38) OPRM1OPRL1MEN1KMT2ASMN1; SMN2
SCHEMBL21577448 0.69 ALDH1A1 (0.38) OPRM1OPRL1MEN1KMT2ASMN1; SMN2
SCHEMBL21577452 0.69 ALDH1A1 (0.38) OPRM1OPRL1MEN1KMT2ASMN1; SMN2
SCHEMBL4955461 0.69 L3MBTL1 (0.40) L3MBTL3L3MBTL1OPRM1OPRK1OPRL1
SCHEMBL4954571 0.68 ALDH1A1 (0.42) OPRM1MEN1KMT2ASMN1; SMN2HTR2B

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 L3MBTL3 3088/4885L3MBTL1 2585/4885OPRM1 2066/4885

“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.