SCHEMBL12649082

SCHEMBL12649082

Cn1ccc(COC2CNC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.38
CRBN Q96SW2 2/20 0.38
EPHX2 P34913 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
JAK2 O60674 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
GRM2 Q14416 1/20 0.32
KDM1A O60341 1/20 0.32
KCNH2 Q12809 3/20 0.31
CHRM2 P08172 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
GRIN2B Q13224 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31

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
Hydrochloric Acid SCHEMBL1769251 0.98 DDB1 (0.38) DDB1CRBNEPHX2ALOX5APFEN1
Trifluoroacetic Acid SCHEMBL31411020 0.87 ALOX5AP (0.36) ALOX5APJAK2GRM2
SCHEMBL26794150 0.81 DDB1 (0.35) DDB1CRBNEPHX2ALOX5APFEN1
SCHEMBL25731564 0.75 DDB1 (0.41) DDB1CRBNEPHX2OPRM1OPRL1
SCHEMBL31411014 0.73 AXL (0.36) DDB1CRBNCHRM1
SCHEMBL2629338 0.71
SCHEMBL26791808 0.70 JAK2 (0.37) JAK2GRM2GLS
SCHEMBL17541290 0.70
SCHEMBL26988411 0.69 MAP4K3 (0.38) KCNH2CHRM2CHRM1CHRM3CHRNB2
Hydrochloric Acid SCHEMBL10815720 0.68 EPHX2 (0.39) DDB1CRBNEPHX2ALOX5APFEN1

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 14 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-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-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-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-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
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
US-20120277207-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA S.A.S. (FR) 2012-11-01 US 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 DDB1 322/4885CRBN 578/4885EPHX2 2221/4885
US-20140357617-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS ACR, AADAC, AAAS DDB1 322/4885CRBN 578/4885EPHX2 2221/4885
US-20120277207-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS ACR, AADAC, AAAS DDB1 322/4885CRBN 578/4885EPHX2 2221/4885

“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.