SCHEMBL1266972

SCHEMBL1266972

Cc1ccccc1C(=O)N1CCn2cccc2C1c1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.61
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 2/20 0.42
ABCB1 P08183 2/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
P2RX7 Q99572 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MGLL Q99685 1/20 0.39
ELANE P08246 1/20 0.39
SHMT2 P34897 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL1266968 0.88 ALDH1A1 (0.62) ADRA2CALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL1267260 0.87 ADRA2C (0.58) ADRA2CALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL1267049 0.87 ADRA2C (0.58) ADRA2CALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL1267519 0.81 MAPT (0.60) ADRA2CALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL1266067 0.81 ADRA2C (0.58) ADRA2CALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL1266335 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1MAPTNPSR1
SCHEMBL1267511 0.81 ALDH1A1 (0.47) ADRA2CALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL1267030 0.80 ADRA2C (0.59) ADRA2CALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL1266892 0.80 ALDH1A1 (0.50) ADRA2CALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL1267602 0.79 ADRA2C (0.58) ADRA2CALDH1A1KDM4EL3MBTL1MAPT

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
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-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 559/4885KDM4E 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.