SCHEMBL2420488

SCHEMBL2420488

Cc1ccc(NC(=O)CN2CCn3cccc3C2c2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 8/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.44
ATM Q13315 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL2420282 0.84 HTT (0.40) LMNAHTTALDH1A1KDM4E
SCHEMBL2421636 0.83 ALDH1A1 (0.52) GAAHTTALDH1A1MEN1KMT2A
SCHEMBL2423114 0.79 ALDH1A1 (0.54) LMNAHTTALDH1A1MEN1KMT2A
SCHEMBL2415510 0.75 POLB (0.41) ALDH1A1MEN1KMT2APOLBNPC1
SCHEMBL2418577 0.73 LMNA (0.50) LMNAALDH1A1MEN1KMT2ANPC1
SCHEMBL2421388 0.73 MAPT (0.41) GAAHTTALDH1A1MEN1KMT2A
SCHEMBL2417739 0.72 KMT2A (0.52) GAAHTTALDH1A1MEN1KMT2A
SCHEMBL1267511 0.71 ALDH1A1 (0.47) HTTALDH1A1MEN1KMT2APOLB
SCHEMBL2419660 0.70 KMT2A (0.46) HTTALDH1A1MEN1KMT2APOLB
SCHEMBL2420495 0.69 ALDH1A1 (0.34) HTTALDH1A1MEN1KMT2APOLB

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 GAA 3792/4885LMNA 2185/4885HTT 673/4885
US-20080167315-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain KCNQ2, KCNQ1, KCNJ2 GAA 3792/4885LMNA 2185/4885HTT 673/4885

“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.