SCHEMBL1360488

SCHEMBL1360488

C=CCO[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.52
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.39
KLK5 Q9Y337 4/20 0.39
KLK7 P49862 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CTSL P07711 1/20 0.39
SYK P43405 1/20 0.38
CTSK P43235 1/20 0.38
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL744418 1.00 PDE4B (0.52) PDE4BF13A1TGM2TGM1BACE1
SCHEMBL18264070 0.93 PDE4B (0.44) PDE4BBACE1BACE2L3MBTL1KMT2A
SCHEMBL18270857 0.93 PDE4B (0.44) PDE4BBACE1BACE2L3MBTL1KMT2A
SCHEMBL1360264 0.90 PDE4B (0.56) PDE4BBACE1BACE2L3MBTL1KMT2A
SCHEMBL1360262 0.90 PDE4B (0.56) PDE4BBACE1BACE2L3MBTL1KMT2A
SCHEMBL7496914 0.87 PDE4B (0.55) PDE4BBACE1BACE2L3MBTL1KMT2A
SCHEMBL2183565 0.86 PDE4B (0.55) PDE4BF13A1TGM2TGM1L3MBTL1
SCHEMBL12426648 0.86 PDE4B (0.55) PDE4BF13A1TGM2TGM1L3MBTL1
SCHEMBL2180969 0.86 PDE4B (0.55) PDE4BF13A1TGM2TGM1L3MBTL1
SCHEMBL30060223 0.86 PDE4B (0.59) PDE4BBACE1BACE2L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729063-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2014-05-20 US disclosed
US-8729063-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2014-05-20 US disclosed
US-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2013-05-09 US disclosed
US-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2013-05-09 US disclosed
US-8362003-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-01-29 US disclosed
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-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION 2011-10-13 US disclosed
US-7834021-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2010-11-16 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 (4 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-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 PDE4B 1536/4885F13A1 691/4885TGM2 4276/4885
US-20120214807-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 CCR2, CCR1, CXCR3 PDE4B 2341/4885F13A1 557/4885TGM2 4201/4885
US-20090197884-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 PDE4B 2341/4885F13A1 557/4885TGM2 4201/4885
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 PDE4B 1536/4885F13A1 691/4885TGM2 4276/4885

“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.