SCHEMBL5841337

SCHEMBL5841337

NCCCN1CCN2CCCCC2C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.49
HTR7 P34969 2/20 0.44
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM3 P20309 1/20 0.43
TMEM97 Q5BJF2 1/20 0.42

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
SCHEMBL3979601 0.87 SIGMAR1 (0.49) SIGMAR1TMEM97
SCHEMBL7471957 0.85 SIGMAR1 (0.51) SIGMAR1TMEM97
SCHEMBL5841480 0.84 SIGMAR1 (0.49) SIGMAR1HTR7CHRM5CHRM1CHRM2
SCHEMBL23023818 0.80 SIGMAR1 (0.50) SIGMAR1HTR7CHRM5CHRM1CHRM2
SCHEMBL19677041 0.80 SIGMAR1 (0.50) SIGMAR1HTR7CHRM5CHRM1CHRM2
SCHEMBL5843143 0.79 SIGMAR1 (0.55) SIGMAR1HTR7CHRM5CHRM1CHRM2
SCHEMBL7513389 0.79 KEAP1 (0.48) SIGMAR1TMEM97
SCHEMBL7595350 0.78 HRH3 (0.50)
SCHEMBL22477376 0.77 SIGMAR1 (0.48) SIGMAR1HTR7CHRM5CHRM1CHRM2
SCHEMBL6983501 0.77 SIGMAR1 (0.52) SIGMAR1HTR7CHRM5CHRM1CHRM2

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-6992085-B2 Octahydro-2H-pyrido[1,2-a]pyrazine compounds LES LABORATORIES SERVIER (FR) 2006-01-31 US disclosed
CN-1197863-C NOvel octahydro-2H-pyridino-[1,2-a] pyrazine compound, its prepn. process and medicinal compound contg. them SERVIER LAB (FR) 2005-04-20 CN 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
CN-1397557-A NOvel octahydro-2H-pyridino-[1,2-a] pyrazine compound, its prepn. process and medicinal compound contg. them SAVOIREN LAB (FR) 2003-02-19 CN 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 SIGMAR1 47/4885HTR7 410/4885CHRM5 219/4885

“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.