SCHEMBL1769262

SCHEMBL1769262

Cc1nc(C2CN(C(=O)O)C2)no1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.42
HSD11B1 P28845 2/20 0.37
MAP4K4 O95819 2/20 0.36
DPP4 P27487 2/20 0.34
ENPP2 Q13822 1/20 0.33
FABP4 P15090 2/20 0.33
FABP5 Q01469 2/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9933638 0.84 CCR5 (0.34) CCR5MAP4K4DPP4
SCHEMBL9933637 0.84 CCR5 (0.34) CCR5MAP4K4DPP4
SCHEMBL13743789 0.77 HSD11B1 (0.46) CCR5HSD11B1MAP4K4DPP4NPC1
SCHEMBL15934131 0.72 POLB (0.47) CCR5HSD11B1MAP4K4NPC1ALDH1A1
SCHEMBL1421874 0.72
SCHEMBL13678714 0.71 HDAC4 (0.46) CCR5HSD11B1MAP4K4ALDH1A1MAPT
SCHEMBL10152521 0.71 HCRTR1 (0.44)
SCHEMBL1769192 0.71 CPT1A (0.45) ENPP2
SCHEMBL10152524 0.71 HCRTR1 (0.44)
SCHEMBL10152553 0.71 HCRTR1 (0.44)

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-9321769-B2 Heterocyclic acrylamides and their use as pharmaceuticals FAB PHARMA S.A.S. (FR) 2016-04-26 US disclosed
US-20150232466-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA S.A.S. (FR) 2015-08-20 US disclosed
US-9051321-B2 Heterocyclic acrylamides and their use as pharmaceuticals FAB PHARMA S.A.S. (FR) 2015-06-09 US disclosed
US-20140357617-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA S.A.S. (FR) 2014-12-04 US disclosed
US-8846711-B2 Heterocyclic acrylamides and their use as pharmaceuticals FAB PHARMA S.A.S. (FR) 2014-09-30 US disclosed
EP-2501693-B1 AZA HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS BACTERICIDES FAB PHARMA SAS (FR) 2014-09-17 EP disclosed
US-20120277207-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA S.A.S. (FR) 2012-11-01 US disclosed
EP-2501693-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB Pharma SAS (FR) 2012-09-26 EP disclosed
CN-102656158-A Novel heterocyclic acrylamides and their use as pharmaceuticals FAB PHARMA SAS 2012-09-05 CN disclosed
WO-2011061214-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA SAS (FR) 2011-05-26 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 (3 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-20150232466-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS ACR, AADAC, AAAS CCR5 2636/4885HSD11B1 3891/4885MAP4K4 1873/4885
US-20140357617-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS ACR, AADAC, AAAS CCR5 2636/4885HSD11B1 3891/4885MAP4K4 1873/4885
US-20120277207-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS ACR, AADAC, AAAS CCR5 2636/4885HSD11B1 3891/4885MAP4K4 1873/4885

“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.