SCHEMBL2416722

SCHEMBL2416722

CC(C)N(CC(=O)N1CCn2cccc2C1c1ccc(F)cc1F)C(=O)NC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
MAPT P10636 11/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
HTT P42858 3/20 0.40
ADRA2C P18825 1/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 4/20 0.38
LMNA P02545 1/20 0.36
MC4R P32245 5/20 0.35
MC5R P33032 2/20 0.34
MC3R P41968 2/20 0.34
MC1R Q01726 2/20 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
SCHEMBL2414932 0.83 ADRA2C (0.48) CNR1CNR2MAPTMEN1KMT2A
SCHEMBL2414061 0.80 ADRA2C (0.39) CNR1CNR2MAPTMEN1KMT2A
SCHEMBL3570064 0.76 ADRA2C (0.64) MAPTMEN1KMT2AHTTADRA2C
SCHEMBL3570059 0.76 ADRA2C (0.49) MAPTMEN1KMT2AHTTADRA2C
SCHEMBL3570062 0.75 MAPT (0.46) MAPTMEN1KMT2AHTTADRA2C
SCHEMBL2417761 0.72 TSHR (0.44) MAPTHTTALDH1A1
SCHEMBL1266821 0.71 MAPT (0.48) MAPTMEN1KMT2AHTTADRA2C
SCHEMBL22627329 0.71 MAPT (0.54) MAPTMEN1KMT2AHTTADRA2C
SCHEMBL2421964 0.66 MEN1 (0.39) MAPTMEN1KMT2AHTTADRA2C
SCHEMBL2418833 0.65 ADRA2C (0.47) CNR1CNR2MAPTMEN1KMT2A

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 CNR1 427/4885CNR2 220/4885MAPT 1735/4885
US-20080167315-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain KCNQ2, KCNQ1, KCNJ2 CNR1 427/4885CNR2 220/4885MAPT 1735/4885

“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.