SCHEMBL2415510

SCHEMBL2415510

O=C(CN1CCn2cccc2C1c1ccc2c(c1)OCCO2)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
P2RX7 Q99572 1/20 0.38
PPARG P37231 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CCR2 P41597 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
SCHEMBL2421117 0.86 POLB (0.50) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL2416404 0.86 POLB (0.46) POLBKMT2ANPC1RAB9AL3MBTL1
SCHEMBL2417022 0.86 LMNA (0.45) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL2423078 0.83 POLB (0.46) POLBKMT2AMEN1NPC1HPGD
SCHEMBL2420282 0.79 HTT (0.40) ALDH1A1
SCHEMBL2423114 0.77 ALDH1A1 (0.54) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL2420488 0.75 GAA (0.52) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL2420525 0.74 ALDH1A1 (0.48) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL2415512 0.73 POLB (0.36) POLBKMT2ANPC1RAB9AALDH1A1
SCHEMBL2416409 0.72 ALDH1A1 (0.47) POLBKMT2AMEN1ALDH1A1MAPT

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 14 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
EP-2112993-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS HAVING AFFINITY WITH THE KCNQ2/3 K+ CHANNEL AND USE THEREOF IN MEDICAMENTS Grünenthal GmbH (DE) 2009-11-04 EP 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
WO-2008046582-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS HAVING AFFINITY WITH THE KCNQ2/3 K+ CHANNEL AND USE THEREOF IN MEDICAMENTS Grünenthal GmbH (DE) 2008-04-24 WO 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
EP-2112993-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS HAVING AFFINITY WITH THE KCNQ2/3 K+ CHANNEL AND USE THEREOF IN MEDICAMENTS Grünenthal GmbH (DE) 2009-11-04 EP 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
WO-2008046582-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS HAVING AFFINITY WITH THE KCNQ2/3 K+ CHANNEL AND USE THEREOF IN MEDICAMENTS Grünenthal GmbH (DE) 2008-04-24 WO 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 4056/4885KMT2A 770/4885MEN1 3558/4885
US-20080167315-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain KCNQ2, KCNQ1, KCNJ2 POLB 4056/4885KMT2A 770/4885MEN1 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.