SCHEMBL1267491

SCHEMBL1267491

Cc1ccccc1C1c2cccn2CCN1C(=O)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 6/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
GRM1 Q13255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KEAP1 Q14145 1/20 0.37
ADRA2C P18825 1/20 0.36
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
GRM5 P41594 1/20 0.35

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
SCHEMBL1267515 0.85 MEN1 (0.54) KDM4EALDH1A1L3MBTL1MAPTMEN1
SCHEMBL1267536 0.83 ALDH1A1 (0.58) KDM4EALDH1A1L3MBTL1MAPTMEN1
SCHEMBL1266335 0.81 ALDH1A1 (0.47) KDM4EALDH1A1L3MBTL1MAPTMEN1
SCHEMBL1267485 0.81 MAPT (0.55) KDM4EALDH1A1L3MBTL1MAPTMEN1
SCHEMBL1266771 0.79 ALDH1A1 (0.50) KDM4EALDH1A1L3MBTL1MAPTMEN1
SCHEMBL1266982 0.77 MAPT (0.47) TSHRKDM4EALDH1A1L3MBTL1MAPT
SCHEMBL1266082 0.74 ADRA2C (0.61) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1266643 0.74 ADRA2C (0.46) KDM4EALDH1A1L3MBTL1MAPTMEN1
SCHEMBL4783251 0.74 MAPT (0.41) TSHRKDM4EALDH1A1L3MBTL1MAPT
SCHEMBL4781278 0.73 ALDH1A1 (0.38) KDM4EALDH1A1L3MBTL1MAPTMEN1

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 5 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-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 TSHR 3181/4885KDM4E 2341/4885ALDH1A1 559/4885

“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.