SCHEMBL3570062

SCHEMBL3570062

NC(=O)CCC(=O)N1CCn2cccc2C1c1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.46
ALDH1A1 P00352 7/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
KDM4E B2RXH2 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 2/20 0.44
HTT P42858 3/20 0.43
LMNA P02545 1/20 0.43
ADRA2C P18825 1/20 0.42
KIF11 P52732 2/20 0.39
CHRM3 P20309 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
SCHEMBL3570059 0.82 ADRA2C (0.49) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL3570064 0.82 ADRA2C (0.64) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1266821 0.81 MAPT (0.48) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2416722 0.75 CNR1 (0.46) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2414061 0.75 ADRA2C (0.39) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1267017 0.75 ALDH1A1 (0.53) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2421964 0.73 MEN1 (0.39) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2417761 0.70 TSHR (0.44) MAPTALDH1A1HTT
SCHEMBL1267485 0.70 MAPT (0.55) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1265994 0.70 MEN1 (0.55) MAPTALDH1A1MEN1KMT2AKDM4E

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 MAPT 1735/4885ALDH1A1 2817/4885MEN1 3558/4885
US-20080167315-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain KCNQ2, KCNQ1, KCNJ2 MAPT 1735/4885ALDH1A1 2817/4885MEN1 3558/4885

“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.