SCHEMBL1267602

SCHEMBL1267602

O=C(c1cccc(F)c1)N1CCn2cccc2C1c1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.58
SMN1; SMN2 Q16637 6/20 0.48
MAPT P10636 5/20 0.48
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
GAA P10253 1/20 0.48
HTT P42858 2/20 0.47
RORC P51449 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ABCB1 P08183 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MGLL Q99685 1/20 0.43
GRM5 P41594 3/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL1267030 0.90 ADRA2C (0.59) ADRA2CSMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL1266365 0.89 ALDH1A1 (0.58) ADRA2CSMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL1267009 0.87 ALDH1A1 (0.48) ADRA2CSMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL1267260 0.83 ADRA2C (0.58) ADRA2CSMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL1266012 0.82 ADRA2C (0.55) ADRA2CSMN1; SMN2ALDH1A1L3MBTL1KDM4E
SCHEMBL1267017 0.81 ALDH1A1 (0.53) SMN1; SMN2MAPTALDH1A1L3MBTL1NPSR1
SCHEMBL1266315 0.79 ABL1 (0.46) SMN1; SMN2MAPTALDH1A1L3MBTL1NPSR1
SCHEMBL1266972 0.79 ADRA2C (0.61) ADRA2CSMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL1266067 0.79 ADRA2C (0.58) ADRA2CSMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL1266801 0.77 KMT2A (0.52) ADRA2CSMN1; SMN2MAPTALDH1A1L3MBTL1

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 185/4885SMN1; SMN2 1583/4885MAPT 832/4885

“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.