SCHEMBL1266795

SCHEMBL1266795

O=C(c1cccs1)N1CCn2cccc2C1c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
KDM4E B2RXH2 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 3/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KMT2A Q03164 4/20 0.45
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL1266939 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL1266067 0.87 ADRA2C (0.58) ALDH1A1KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL1265968 0.87 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL1267163 0.84 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL1266011 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL1266378 0.80 ALDH1A1 (0.57) ALDH1A1KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL1266968 0.79 ALDH1A1 (0.62) ALDH1A1KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL1267130 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL1267621 0.77 GRM5 (0.40) ALDH1A1KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL1266805 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EL3MBTL1MAPTSMN1; SMN2

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 8 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
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
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 ALDH1A1 559/4885KDM4E 2341/4885L3MBTL1 4716/4885

“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.