SCHEMBL5841208

SCHEMBL5841208

COc1cc(NCCCCN2CCN3CCCCC3C2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.44
SIGMAR1 Q99720 7/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
SLC29A1 Q99808 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
ABCB1 P08183 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
KCNH2 Q12809 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40

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
Hydrochloric Acid SCHEMBL5840340 0.99 SHMT2 (0.43) SHMT2SIGMAR1TLR9TLR7SLC29A1
SCHEMBL6986781 0.99 SHMT2 (0.43) SHMT2SIGMAR1TLR9TLR7SLC29A1
Hydrochloric Acid SCHEMBL5842747 0.98 SHMT2 (0.42) SHMT2SIGMAR1TLR9TLR7KCNH2
SCHEMBL6986873 0.97 SHMT2 (0.44) SHMT2SIGMAR1TLR9TLR7SLC29A1
Hydrochloric Acid SCHEMBL5840949 0.96 SHMT2 (0.44) SHMT2SIGMAR1TLR9TLR7SLC29A1
SCHEMBL6982261 0.88 SHMT2 (0.55) SHMT2SIGMAR1TLR9TLR7
Hydrochloric Acid SCHEMBL5841553 0.88 SHMT2 (0.54) SHMT2SIGMAR1TLR9TLR7
SCHEMBL6985106 0.83 SIGMAR1 (0.43) SIGMAR1SLC29A1CHRM2CHRM4ABCB1
SCHEMBL5841718 0.83 SLC29A1 (0.44) SIGMAR1TLR9TLR7SLC29A1CHRM2
SCHEMBL6988480 0.83 SIGMAR1 (0.45) SHMT2SIGMAR1TLR9TLR7ABCB1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6992085-B2 Octahydro-2H-pyrido[1,2-a]pyrazine compounds LES LABORATORIES SERVIER (FR) 2006-01-31 US claimed
EP-1275647-B1 Octahydro-2H-pyrido[1,2-a]pyrazine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-11-12 EP claimed
US-20030195216-A1 Octahydro-2H-pyrido[1,2-a] pyrazine compounds LES LABORATOIRES SERVIER (FR) 2003-10-16 US claimed
EP-1275647-A1 Octahydro-2H-pyrido[1,2-a]pyrazine derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-01-15 EP claimed
US-6992085-B2 Octahydro-2H-pyrido[1,2-a]pyrazine compounds LES LABORATORIES SERVIER (FR) 2006-01-31 US disclosed
EP-1275647-B1 Octahydro-2H-pyrido[1,2-a]pyrazine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-11-12 EP disclosed
US-20030195216-A1 Octahydro-2H-pyrido[1,2-a] pyrazine compounds LES LABORATOIRES SERVIER (FR) 2003-10-16 US disclosed
EP-1275647-A1 Octahydro-2H-pyrido[1,2-a]pyrazine derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-01-15 EP 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-20030195216-A1 Octahydro-2H-pyrido[1,2-a] pyrazine compounds CYP2W1, OXER1, IL1R1 SHMT2 2780/4885SIGMAR1 47/4885TLR9 4170/4885

“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.