SCHEMBL2422844

SCHEMBL2422844

CN(C)C(=O)NCC(=O)N1CCn2cccc2C1c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.49
PPID Q08752 1/20 0.39
PPIG Q13427 1/20 0.39
MAPT P10636 7/20 0.39
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 8/20 0.37
MEN1 O00255 6/20 0.37
ALDH1A1 P00352 7/20 0.37
HTT P42858 2/20 0.37
SHMT2 P34897 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
DPP4 P27487 1/20 0.36
PREP P48147 1/20 0.36
FAP Q12884 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
DRD2 P14416 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 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
SCHEMBL3837693 0.72 ADRA2C (0.57) ADRA2CMAPTKDM4EKMT2AMEN1
SCHEMBL3570059 0.71 ADRA2C (0.49) ADRA2CMAPTKDM4EKMT2AMEN1
SCHEMBL2414767 0.68 POLB (0.42) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL2421945 0.68 ADRA2C (0.52) ADRA2CMAPTKDM4EKMT2AMEN1
SCHEMBL2419026 0.67 ALDH1A1 (0.48) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL2423409 0.65 ALDH1A1 (0.53) ADRA2CMAPTKDM4EKMT2AMEN1
SCHEMBL4470696 0.65 ADRA2C (0.70) ADRA2CMAPTKDM4EKMT2AMEN1
SCHEMBL2422709 0.63 ALDH1A1 (0.59) ADRA2CMAPTKDM4EKMT2AMEN1
SCHEMBL1267065 0.63 ALDH1A1 (0.56) ADRA2CMAPTKDM4EKMT2AMEN1
SCHEMBL2416819 0.63 ADRA2C (0.46) ADRA2CMAPTKDM4EKMT2AMEN1

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-8017772-B2 Substituted tetrahydropyrrolopyrazine compounds and the use thereof in the treatment and/or inhibition of pain GRUENENTHAL GMBH (DE) 2011-09-13 US claimed
US-20100004252-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT AND/OR INHIBITION OF PAIN GRUENENTHAL GMBH (DE) 2010-01-07 US claimed
US-7625900-B2 Sutstituted tetrahydropyrrolopyrazine compounds and the use thereof in the treatment and/or inhibition of pain GRUENENTHAL GMBH (DE) 2009-12-01 US claimed
CN-101547925-A For KCNQ2/3K+Substituted tetrahydropyrrolopyrazine compounds with channel affinity and their use in medicine GRUENENTHAL GMBH (DE) 2009-09-30 CN claimed
US-20080167315-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain GRUENENTHAL GMBH (DE) 2008-07-10 US claimed
US-8017772-B2 Substituted tetrahydropyrrolopyrazine compounds and the use thereof in the treatment and/or inhibition of pain GRUENENTHAL GMBH (DE) 2011-09-13 US disclosed
US-20100004252-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT AND/OR INHIBITION OF PAIN GRUENENTHAL GMBH (DE) 2010-01-07 US disclosed
US-7625900-B2 Sutstituted tetrahydropyrrolopyrazine compounds and the use thereof in the treatment and/or inhibition of pain GRUENENTHAL GMBH (DE) 2009-12-01 US disclosed
CN-101547925-A For KCNQ2/3K+Substituted tetrahydropyrrolopyrazine compounds with channel affinity and their use in medicine GRUENENTHAL GMBH (DE) 2009-09-30 CN disclosed
US-20080167315-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain GRUENENTHAL GMBH (DE) 2008-07-10 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-20100004252-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT AND/OR INHIBITION OF PAIN KCNQ2, KCNQ1, KCNJ2 ADRA2C 272/4885PPID 2394/4885PPIG 2036/4885
US-20080167315-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain KCNQ2, KCNQ1, KCNJ2 ADRA2C 272/4885PPID 2394/4885PPIG 2036/4885

“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.