SCHEMBL1267009

SCHEMBL1267009

Cc1cccc(C2c3cccn3CCN2C(=O)c2cccc(F)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ADRA2C P18825 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
RORC P51449 1/20 0.45
HTT P42858 2/20 0.43
GRM5 P41594 1/20 0.42
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
PIK3CD O00329 1/20 0.41

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
SCHEMBL1266801 0.90 KMT2A (0.52) ALDH1A1SMN1; SMN2L3MBTL1MAPTNPSR1
SCHEMBL1266365 0.89 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2L3MBTL1MAPTNPSR1
SCHEMBL1267602 0.87 ADRA2C (0.58) ALDH1A1SMN1; SMN2L3MBTL1MAPTNPSR1
SCHEMBL1267045 0.82 KIF11 (0.48) ALDH1A1SMN1; SMN2L3MBTL1MAPTNPSR1
SCHEMBL1267017 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2L3MBTL1MAPTNPSR1
SCHEMBL1266315 0.79 ABL1 (0.46) ALDH1A1SMN1; SMN2L3MBTL1MAPTNPSR1
SCHEMBL1265968 0.79 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2L3MBTL1MAPTNPSR1
SCHEMBL1265985 0.78 GRIN2C (0.45) ALDH1A1SMN1; SMN2L3MBTL1MAPTNPSR1
SCHEMBL4783560 0.78 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2L3MBTL1MAPTNPSR1
SCHEMBL4784173 0.78 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPTKDM4EADRA2C

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 6 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-20090258880-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in Pharmaceutical Compositions GRUENENTHAL GMBH (DE) 2009-10-15 US 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 559/4885SMN1; SMN2 1583/4885L3MBTL1 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.