SCHEMBL1266337

SCHEMBL1266337

CCCCCC(=O)N1CCn2cccc2C1c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
KDM4E B2RXH2 2/20 0.43
ADRA2C P18825 1/20 0.42
HTT P42858 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 5/20 0.40
MAP1LC3B Q9GZQ8 1/20 0.40
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
BRD4 O60885 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL1266329 0.85 ALDH1A1 (0.43) MAPTKDM4EADRA2CHTTMEN1
SCHEMBL1266071 0.83 ALDH1A1 (0.45) MAPTKDM4EADRA2CMEN1KMT2A
SCHEMBL1266321 0.81 BRD4 (0.46) MAPTKDM4EADRA2CMEN1KMT2A
SCHEMBL1266850 0.80 ALDH1A1 (0.47) MAPTKDM4EADRA2CMEN1KMT2A
SCHEMBL2754403 0.76 ALDH1A1 (0.39) MAPTKDM4EADRA2CMEN1KMT2A
SCHEMBL1266653 0.73 ALDH1A1 (0.46) MAPTKDM4EHTTMEN1KMT2A
SCHEMBL1267145 0.69 ALDH1A1 (0.43) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL2422709 0.63 ALDH1A1 (0.59) MAPTKDM4EADRA2CHTTMEN1
SCHEMBL2059449 0.62 L3MBTL1 (0.44) MEN1KMT2AL3MBTL1
SCHEMBL1266153 0.60 KDM4E (0.58) MAPTKDM4EADRA2CHTTMEN1

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 12 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

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 MAPT 832/4885KDM4E 2341/4885ADRA2C 185/4885

“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.