SCHEMBL2416404

SCHEMBL2416404

Cc1ccc(C2c3cccn3CCN2CC(=O)NCc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RX7 Q99572 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HTR7 P34969 1/20 0.40
CCR2 P41597 1/20 0.40
RORC P51449 1/20 0.40
TEAD1 P28347 1/20 0.39

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
SCHEMBL2421117 0.92 POLB (0.50) POLBKMT2AP2RX7L3MBTL1NPC1
SCHEMBL2417022 0.91 LMNA (0.45) POLBKMT2AP2RX7L3MBTL1NPC1
SCHEMBL2423078 0.86 POLB (0.46) POLBKMT2ANPC1CCR2
SCHEMBL2417739 0.86 KMT2A (0.52) POLBKMT2AL3MBTL1
SCHEMBL2415510 0.86 POLB (0.41) POLBKMT2AP2RX7L3MBTL1NPC1
SCHEMBL2422100 0.81 ALDH1A1 (0.52) TSHRKMT2A
SCHEMBL2423114 0.81 ALDH1A1 (0.54) POLBTSHRKMT2AL3MBTL1
SCHEMBL2420525 0.79 ALDH1A1 (0.48) POLBTSHRKMT2AL3MBTL1HRH3
SCHEMBL2424265 0.78 ADRA2C (0.45) TSHRKMT2AP2RX7HRH3
SCHEMBL2416409 0.77 ALDH1A1 (0.47) POLBKMT2AL3MBTL1HRH3TEAD1

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 POLB 4056/4885TSHR 4456/4885KMT2A 770/4885
US-20080167315-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain KCNQ2, KCNQ1, KCNJ2 POLB 4056/4885TSHR 4456/4885KMT2A 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.