SCHEMBL1266970

SCHEMBL1266970

CCC(OC)C(=O)N1CCn2cccc2C1c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
BRD4 O60885 4/20 0.38
ADRA2C P18825 1/20 0.37
BRDT Q58F21 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
ADORA3 P0DMS8 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.34
SHMT2 P34897 1/20 0.34

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
SCHEMBL1266321 0.80 BRD4 (0.46) KMT2AMEN1BRD4ADRA2CBRDT
SCHEMBL1266337 0.77 MAPT (0.43) KMT2AMEN1BRD4ADRA2CALDH1A1
SCHEMBL1266330 0.76 ADRA2C (0.41) KMT2AMEN1BRD4ADRA2CBRDT
SCHEMBL2754403 0.76 ALDH1A1 (0.39) KMT2AMEN1BRD4ADRA2CBRDT
SCHEMBL1267529 0.75 BRD4 (0.49) KMT2AMEN1BRD4BRDTALDH1A1
SCHEMBL1267130 0.74 ALDH1A1 (0.49) KMT2AALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL1266850 0.74 ALDH1A1 (0.47) KMT2AMEN1ADRA2CALDH1A1MAPT
SCHEMBL1265987 0.73 ALDH1A1 (0.43) KMT2AMEN1BRD4ALDH1A1MAPT
SCHEMBL1266071 0.72 ALDH1A1 (0.45) KMT2AMEN1ADRA2CALDH1A1MAPT
SCHEMBL1266653 0.72 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1MAPTNPSR1

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 KMT2A 3025/4885MEN1 4056/4885BRD4 2785/4885

“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.