SCHEMBL3860442

SCHEMBL3860442

O=C(CC(=O)N1CCn2cccc2C1c1ccccc1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 3/20 0.48
MAPT P10636 6/20 0.48
ALDH1A1 P00352 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
POLB P06746 2/20 0.48
CYP3A4 P08684 1/20 0.47
KCNH2 Q12809 1/20 0.47
MCHR1 Q99705 1/20 0.47
ADRA2C P18825 1/20 0.46
HTT P42858 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.45
UBE2M P61081 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GRIN2B Q13224 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL2420525 0.85 ALDH1A1 (0.48) SMN1; SMN2GAAMAPTALDH1A1L3MBTL1
SCHEMBL2416409 0.80 ALDH1A1 (0.47) SMN1; SMN2GAAMAPTALDH1A1L3MBTL1
SCHEMBL3855414 0.79 ADRA2C (0.47) SMN1; SMN2GAAMAPTALDH1A1L3MBTL1
SCHEMBL2417888 0.78 ADRA2C (0.44) SMN1; SMN2MAPTALDH1A1L3MBTL1CYP3A4
SCHEMBL2419551 0.77 ALDH1A1 (0.59) SMN1; SMN2GAAMAPTALDH1A1NPSR1
SCHEMBL2418781 0.73 ALDH1A1 (0.55) SMN1; SMN2GAAMAPTALDH1A1L3MBTL1
SCHEMBL2421117 0.73 POLB (0.50) SMN1; SMN2MAPTALDH1A1L3MBTL1POLB
SCHEMBL2424341 0.73 ALDH1A1 (0.51) SMN1; SMN2GAAMAPTALDH1A1NPSR1
SCHEMBL2417348 0.73 ADRA2C (0.46) GAAMAPTALDH1A1CYP3A4ADRA2C
SCHEMBL2418919 0.73 ALDH1A1 (0.54) SMN1; SMN2GAAMAPTALDH1A1L3MBTL1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-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-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-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
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
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
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
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 SMN1; SMN2 853/4885GAA 3792/4885MAPT 1735/4885
US-20080167315-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain KCNQ2, KCNQ1, KCNJ2 SMN1; SMN2 853/4885GAA 3792/4885MAPT 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.