SCHEMBL2417334

SCHEMBL2417334

Cc1cccc(C2c3cccn3CCN2C(=O)CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.58
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTR1A P08908 4/20 0.48
HTR7 P34969 3/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
ADAMTS5 Q9UNA0 2/20 0.47
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL2420347 0.76 ADRA2C (0.67) ADRA2CMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1267069 0.76 ADRA2C (0.55) ADRA2CMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL30609744 0.73 KMT2A (0.67) MEN1KMT2AALDH1A1SMN1; SMN2HTR1A
SCHEMBL17884894 0.73 KMT2A (0.67) MEN1KMT2AALDH1A1SMN1; SMN2HTR1A
SCHEMBL13263593 0.73 ALDH1A1 (0.49) ADRA2CMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4907919 0.72 MEN1 (0.65) MEN1KMT2AALDH1A1SMN1; SMN2HTR1A
SCHEMBL2424265 0.72 ADRA2C (0.45) ADRA2CMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1266771 0.70 ALDH1A1 (0.50) ADRA2CMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2307554 0.70 HHAT (0.59) MEN1KMT2AHTR1AHTR7MAPT
SCHEMBL1266972 0.70 ADRA2C (0.61) ADRA2CMEN1KMT2AALDH1A1SMN1; 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 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 272/4885MEN1 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.