SCHEMBL1266136

SCHEMBL1266136

O=C(c1ccco1)N1CCn2cccc2C1C1=COC=C(C2=CC=CCC2)O1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CHRNA7 P36544 1/20 0.35
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.30

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
SCHEMBL1266145 0.85 ALDH1A1 (0.37) ALDH1A1KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL1267506 0.85 ALDH1A1 (0.36) ALDH1A1KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL1267514 0.84 ALDH1A1 (0.36) ALDH1A1KDM4EL3MBTL1MAPTHPGD
SCHEMBL1266013 0.84 ALDH1A1 (0.35) ALDH1A1KDM4EL3MBTL1TSHRSMN1; SMN2
SCHEMBL2420285 0.74
SCHEMBL2420495 0.73 ALDH1A1 (0.34) ALDH1A1TSHRSMN1; SMN2
SCHEMBL1266883 0.71 ALDH1A1 (1.00) ALDH1A1KDM4EL3MBTL1CHRNA7MAPT
SCHEMBL1266997 0.68 ALDH1A1 (0.72) ALDH1A1KDM4EL3MBTL1CHRNA7MAPT
SCHEMBL1267125 0.67 ALDH1A1 (0.72) ALDH1A1KDM4EL3MBTL1CHRNA7MAPT
SCHEMBL1266133 0.65 ALDH1A1 (0.70) ALDH1A1KDM4EL3MBTL1CHRNA7MAPT

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 4 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
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 559/4885KDM4E 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.