SCHEMBL1267504

SCHEMBL1267504

O=C(c1ccc(F)cc1)N1CCn2cccc2C1c1ccc2c(c1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
GAA P10253 3/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 2/20 0.45
HTT P42858 2/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
CTNNB1 P35222 1/20 0.42
MAOB P27338 2/20 0.41
TERT O14746 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
MAOA P21397 1/20 0.39

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
SCHEMBL1267179 0.89 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GAAL3MBTL1KDM4E
SCHEMBL1266144 0.85 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1266133 0.82 ALDH1A1 (0.70) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1266805 0.81 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1266011 0.81 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1267511 0.81 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1267030 0.80 ADRA2C (0.59) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1266801 0.80 KMT2A (0.52) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1267022 0.78 NPC1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL1266366 0.78 MAPT (0.57) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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 ALDH1A1 559/4885MAPT 832/4885SMN1; SMN2 1583/4885

“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.