SCHEMBL2420768

SCHEMBL2420768

CC(C)NC(=O)CN1CCn2cccc2C1c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 7/20 0.52
ALDH1A1 P00352 7/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 3/20 0.50
GAA P10253 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 3/20 0.43
GPR139 Q6DWJ6 1/20 0.41
ADRA2C P18825 1/20 0.38
GRIN2B Q13224 1/20 0.38
CYP2C19 P33261 1/20 0.37

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
SCHEMBL2421636 0.82 ALDH1A1 (0.52) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL2420282 0.82 HTT (0.40) ALDH1A1HTTKDM4EADRA2C
SCHEMBL2421388 0.82 MAPT (0.41) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL2416157 0.81 KMT2A (0.44) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL2419639 0.79 KMT2A (0.49) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL2418577 0.75 LMNA (0.50) MEN1KMT2AALDH1A1SMN1; SMN2CYP2C19
SCHEMBL2417739 0.72 KMT2A (0.52) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL2415260 0.72 ALDH1A1 (0.52) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL2421130 0.72 ALDH1A1 (0.50) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL2419570 0.72 KMT2A (0.57) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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 MEN1 3558/4885KMT2A 770/4885MAPT 1735/4885
US-20080167315-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain KCNQ2, KCNQ1, KCNJ2 MEN1 3558/4885KMT2A 770/4885MAPT 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.