SCHEMBL1360262

SCHEMBL1360262

CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.56
BACE1 P56817 2/20 0.47
BACE2 Q9Y5Z0 1/20 0.47
KLK5 Q9Y337 7/20 0.46
KLK7 P49862 7/20 0.46
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
TACR1 P25103 2/20 0.42
CTSL P07711 1/20 0.42
SYK P43405 1/20 0.42
USP30 Q70CQ3 1/20 0.41

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
SCHEMBL1360264 1.00 PDE4B (0.56) PDE4BBACE1BACE2KLK5KLK7
SCHEMBL7496914 0.92 PDE4B (0.55) PDE4BBACE1BACE2KLK5KLK7
SCHEMBL30060223 0.92 PDE4B (0.59) PDE4BBACE1BACE2KMT2AL3MBTL1
SCHEMBL7498881 0.92 PDE4B (0.59) PDE4BBACE1BACE2KMT2AL3MBTL1
SCHEMBL28568769 0.91 PDE4B (0.55) PDE4BBACE1BACE2KLK5KLK7
SCHEMBL28568774 0.91 PDE4B (0.55) PDE4BBACE1BACE2KLK5KLK7
SCHEMBL2518065 0.91 PDE4B (0.55) PDE4BBACE1BACE2KLK5KLK7
SCHEMBL744418 0.90 PDE4B (0.52) PDE4BBACE1BACE2KLK5KLK7
SCHEMBL1360488 0.90 PDE4B (0.52) PDE4BBACE1BACE2KLK5KLK7
SCHEMBL23938191 0.89 PDE4B (0.54) PDE4BKLK5KLK7KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214807-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-8067457-B2 Compounds useful as antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-20090197884-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-08-06 US 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 (2 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-20120214807-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 CCR2, CCR1, CXCR3 PDE4B 2341/4885BACE1 3593/4885BACE2 4346/4885
US-20090197884-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 PDE4B 2341/4885BACE1 3593/4885BACE2 4346/4885

“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.