SCHEMBL1266643

SCHEMBL1266643

O=C(C1CCCC1)N1CCn2cccc2C1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.46
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.39
SHMT2 P34897 1/20 0.38
HTT P42858 2/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
MAP3K14 Q99558 1/20 0.36
GRM5 P41594 1/20 0.36

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
SCHEMBL1267211 0.98 ADRA2C (0.46) ADRA2CALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL1267621 0.87 GRM5 (0.40) ADRA2CALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL1266082 0.86 ADRA2C (0.61) ADRA2CALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL1267536 0.83 ALDH1A1 (0.58) ADRA2CALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL1266771 0.82 ALDH1A1 (0.50) ADRA2CALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL1267497 0.81 ADRA2C (0.49) ADRA2CALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL1267083 0.78 ADRA2C (0.54) ADRA2CALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL3568771 0.78 ADRA2C (0.59) ADRA2CALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL1267563 0.77 ALDH1A1 (0.47) ADRA2CALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL1267125 0.77 ALDH1A1 (0.72) ADRA2CALDH1A1L3MBTL1KDM4EMAPT

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 ADRA2C 185/4885ALDH1A1 559/4885L3MBTL1 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.