SCHEMBL1266321

SCHEMBL1266321

CC(=O)N1CCn2cccc2C1c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.46
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
HHAT Q5VTY9 1/20 0.40
ADRA2C P18825 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
BRDT Q58F21 1/20 0.38
MITF O75030 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL1267529 0.85 BRD4 (0.49) BRD4ALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL1267130 0.84 ALDH1A1 (0.49) ALDH1A1KDM4EL3MBTL1KMT2ASMN1; SMN2
SCHEMBL1266330 0.83 ADRA2C (0.41) BRD4ALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL2754403 0.83 ALDH1A1 (0.39) BRD4ALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL1265987 0.82 ALDH1A1 (0.43) BRD4ALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL1266337 0.81 MAPT (0.43) BRD4ALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL1266850 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL1266653 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL1266970 0.80 KMT2A (0.42) BRD4ALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL1265989 0.79 POLB (0.41) ALDH1A1KDM4EL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879858-B2 monoamine reuptake inhibitors such as (3-fluorophenyl)(1-(2-methoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone, used as antidepressants, anxiolytic agents and analgesics GRUENENTHAL GMBH (DE) 2011-02-01 US claimed
EP-2144913-A2 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS AS MONOAMINE REUPTAKE INHIBITORS AND USE THEREOF AS MEDICAMENTS Grünenthal GmbH (DE) 2010-01-20 EP claimed
US-20090258880-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in Pharmaceutical Compositions GRUENENTHAL GMBH (DE) 2009-10-15 US claimed
WO-2008046581-A2 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS AND USE THEREOF IN MEDICAMENTS Grünenthal GmbH (DE) 2008-04-24 WO claimed
US-7879858-B2 monoamine reuptake inhibitors such as (3-fluorophenyl)(1-(2-methoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone, used as antidepressants, anxiolytic agents and analgesics GRUENENTHAL GMBH (DE) 2011-02-01 US disclosed
US-7879858-B2 monoamine reuptake inhibitors such as (3-fluorophenyl)(1-(2-methoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone, used as antidepressants, anxiolytic agents and analgesics GRUENENTHAL GMBH (DE) 2011-02-01 US disclosed
US-7879858-B2 monoamine reuptake inhibitors such as (3-fluorophenyl)(1-(2-methoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone, used as antidepressants, anxiolytic agents and analgesics GRUENENTHAL GMBH (DE) 2011-02-01 US disclosed
EP-2144913-A2 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS AS MONOAMINE REUPTAKE INHIBITORS AND USE THEREOF AS MEDICAMENTS Grünenthal GmbH (DE) 2010-01-20 EP disclosed
US-20090258880-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in Pharmaceutical Compositions GRUENENTHAL GMBH (DE) 2009-10-15 US disclosed
US-20090258880-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in Pharmaceutical Compositions GRUENENTHAL GMBH (DE) 2009-10-15 US disclosed
US-20090258880-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in Pharmaceutical Compositions GRUENENTHAL GMBH (DE) 2009-10-15 US disclosed
WO-2008046581-A2 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS AND USE THEREOF IN MEDICAMENTS Grünenthal GmbH (DE) 2008-04-24 WO disclosed
WO-2008046581-A2 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS 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 (1 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-20090258880-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in Pharmaceutical Compositions DHPS, APC, CYP3A5 BRD4 2785/4885ALDH1A1 559/4885KDM4E 2341/4885

“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.