SCHEMBL1266971

SCHEMBL1266971

COc1ccccc1C1c2cccn2CCN1C(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
CTNNB1 P35222 1/20 0.45
WNT3A P56704 1/20 0.45
SCD5 Q86SK9 1/20 0.45
P2RX4 Q99571 1/20 0.44
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 3/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
GFER P55789 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL1267175 0.87 ALDH1A1 (0.44) NPC1RAB9ACTNNB1WNT3AALDH1A1
SCHEMBL1266359 0.85 ALDH1A1 (0.50) NPC1RAB9ACTNNB1WNT3AALDH1A1
SCHEMBL1265985 0.82 GRIN2C (0.45) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1266774 0.80 HTT (0.46) ALDH1A1KDM4ELMNATSHRL3MBTL1
SCHEMBL1267179 0.79 ALDH1A1 (0.46) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1267045 0.79 KIF11 (0.48) NPC1RAB9ASCD5ALDH1A1KDM4E
SCHEMBL1267145 0.78 ALDH1A1 (0.43) NPC1RAB9ACTNNB1WNT3AALDH1A1
SCHEMBL1266012 0.77 ADRA2C (0.55) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1267022 0.77 NPC1 (0.47) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1266157 0.76 TP53 (0.45) NPC1ALDH1A1KDM4ESMN1; SMN2TP53

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 NPC1 2158/4885RAB9A 3023/4885CTNNB1 1539/4885

“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.