SCHEMBL3570064

SCHEMBL3570064

CCNCC(=O)N1CCn2cccc2C1c1ccc(F)cc1F

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.64
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
MAPT P10636 8/20 0.44
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 4/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 1/20 0.41
CYP2D6 P10635 4/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL3570059 0.88 ADRA2C (0.49) ADRA2CMEN1KMT2AMAPTALDH1A1
SCHEMBL3570062 0.82 MAPT (0.46) ADRA2CMEN1KMT2AMAPTALDH1A1
SCHEMBL1266821 0.78 MAPT (0.48) ADRA2CMEN1KMT2AMAPTALDH1A1
SCHEMBL4470696 0.78 ADRA2C (0.70) ADRA2CMEN1KMT2AMAPTALDH1A1
SCHEMBL2414061 0.76 ADRA2C (0.39) ADRA2CMEN1KMT2AMAPTALDH1A1
SCHEMBL2416722 0.76 CNR1 (0.46) ADRA2CMEN1KMT2AMAPTALDH1A1
SCHEMBL2421964 0.73 MEN1 (0.39) ADRA2CMEN1KMT2AMAPTALDH1A1
SCHEMBL2417761 0.72 TSHR (0.44) MAPTALDH1A1HTTTP53
SCHEMBL1267017 0.70 ALDH1A1 (0.53) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL2419492 0.67 ADRA2C (0.52) ADRA2CMEN1KMT2AMAPTALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 272/4885MEN1 3558/4885KMT2A 770/4885
US-20080167315-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain KCNQ2, KCNQ1, KCNJ2 ADRA2C 272/4885MEN1 3558/4885KMT2A 770/4885

“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.