SCHEMBL1267017

SCHEMBL1267017

O=C(c1cccc(F)c1)N1CCn2cccc2C1c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPT P10636 5/20 0.53
KDM4E B2RXH2 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 2/20 0.44
ABCB1 P08183 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
HPGD P15428 1/20 0.43
PLA2G7 Q13093 1/20 0.40
PIK3CD O00329 1/20 0.40

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
SCHEMBL1265985 0.86 GRIN2C (0.45) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL1266365 0.86 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL1266821 0.84 MAPT (0.48) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL4783560 0.84 SMN1; SMN2 (0.45) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL1265994 0.82 MEN1 (0.55) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL1266359 0.82 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL1266315 0.81 ABL1 (0.46) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL1267009 0.81 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL1267602 0.81 ADRA2C (0.58) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL1267472 0.79 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EMEN1KMT2A

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
US-20090258880-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in Pharmaceutical Compositions GRUENENTHAL GMBH (DE) 2009-10-15 US 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 559/4885MAPT 832/4885KDM4E 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.