SCHEMBL5842866

SCHEMBL5842866

c1ccc2c(c1)CCCN2CCCCN1CCN2CCCCC2C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.54
GRIN2B Q13224 1/20 0.54
SIGMAR1 Q99720 5/20 0.49
DRD3 P35462 2/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRM2 P08172 6/20 0.46
CHRM4 P08173 6/20 0.46
CHRM1 P11229 6/20 0.46
CHRM3 P20309 5/20 0.46
ALOX15 P16050 1/20 0.45
CASP1 P29466 1/20 0.45
TMEM97 Q5BJF2 1/20 0.44

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 SCHEMBL5841279 0.99 GRIN1 (0.53) GRIN1GRIN2BSIGMAR1DRD3DRD2
SCHEMBL5841552 0.94 GRIN1 (0.55) GRIN1GRIN2BSIGMAR1DRD3DRD2
Hydrochloric Acid SCHEMBL5840866 0.93 GRIN1 (0.54) GRIN1GRIN2BSIGMAR1DRD3DRD2
SCHEMBL5840364 0.81 MAPT (0.57) GRIN1GRIN2BDRD3MEN1ALDH1A1
SCHEMBL6980280 0.80 HTR1A (0.49) GRIN1GRIN2BSIGMAR1KMT2ATMEM97
Hydrochloric Acid SCHEMBL5841481 0.79 HTR1A (0.48) GRIN1GRIN2BSIGMAR1KMT2ATMEM97
SCHEMBL20144695 0.78 DRD2 (0.61) GRIN2BSIGMAR1DRD3DRD2DRD4
SCHEMBL6979742 0.77 MAPT (0.57) GRIN1GRIN2BDRD3DRD2DRD4
SCHEMBL20148244 0.76 ALDH1A1 (0.70) DRD3DRD2DRD4MEN1ALDH1A1
Hydrochloric Acid SCHEMBL5842416 0.76 MAPT (0.56) GRIN1GRIN2BDRD3DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GRIN1 101/4885GRIN2B 256/4885SIGMAR1 47/4885

“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.