SCHEMBL2415540

SCHEMBL2415540

Cc1ccc(C2c3cccn3CCN2C(=O)CN(C(=O)C(C)C)C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.41
MAPT P10636 8/20 0.41
ALDH1A1 P00352 7/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 2/20 0.39
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
TP53 P04637 1/20 0.35
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2421577 0.86 CNR1 (0.44) ADRA2CMAPTALDH1A1KMT2AMEN1
SCHEMBL2422137 0.74 ADRA2C (0.50) ADRA2CMAPTALDH1A1KMT2AMEN1
SCHEMBL4470693 0.72 KMT2A (0.58) ADRA2CMAPTALDH1A1KMT2AMEN1
SCHEMBL2416816 0.72 ALDH1A1 (0.55) ADRA2CMAPTALDH1A1KMT2AMEN1
SCHEMBL2419520 0.72 ADRA2C (0.47) ADRA2CMAPTALDH1A1KMT2AMEN1
SCHEMBL2414932 0.70 ADRA2C (0.48) ADRA2CMAPTALDH1A1KMT2AMEN1
SCHEMBL3865162 0.69 ADRA2C (0.43) ADRA2CMAPTALDH1A1KMT2AMEN1
SCHEMBL1267069 0.69 ADRA2C (0.55) ADRA2CMAPTALDH1A1KMT2AMEN1
SCHEMBL1266343 0.68 ALDH1A1 (0.52) ADRA2CMAPTALDH1A1KMT2AMEN1
SCHEMBL2422934 0.67 ALDH1A1 (0.49) ADRA2CMAPTALDH1A1KMT2AMEN1

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 8 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
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
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 272/4885MAPT 1735/4885ALDH1A1 2817/4885
US-20080167315-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain KCNQ2, KCNQ1, KCNJ2 ADRA2C 272/4885MAPT 1735/4885ALDH1A1 2817/4885

“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.