SCHEMBL5841552

SCHEMBL5841552

c1ccc2c(c1)CCN2CCCCN1CCN2CCCCC2C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.55
GRIN2B Q13224 1/20 0.55
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CDK4 P11802 1/20 0.49
ALOX15 P16050 1/20 0.49
CCND1 P24385 1/20 0.49
KMT2A Q03164 1/20 0.49
SIGMAR1 Q99720 5/20 0.47
TMEM97 Q5BJF2 1/20 0.44
DRD3 P35462 2/20 0.44
ATM Q13315 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
ABCB1 P08183 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
Hydrochloric Acid SCHEMBL5840866 0.99 GRIN1 (0.54) GRIN1GRIN2BMEN1USP2ALDH1A1
SCHEMBL5842866 0.94 GRIN1 (0.54) GRIN1GRIN2BMEN1ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL5841279 0.93 GRIN1 (0.53) GRIN1GRIN2BMEN1ALDH1A1ALOX15
SCHEMBL6980280 0.81 HTR1A (0.49) GRIN1GRIN2BKMT2ASIGMAR1TMEM97
SCHEMBL6979742 0.80 MAPT (0.57) GRIN1GRIN2BMEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL5841481 0.80 HTR1A (0.48) GRIN1GRIN2BKMT2ASIGMAR1TMEM97
Hydrochloric Acid SCHEMBL5842416 0.79 MAPT (0.56) GRIN1GRIN2BMEN1ALDH1A1KMT2A
SCHEMBL5840364 0.77 MAPT (0.57) GRIN1GRIN2BMEN1ALDH1A1KMT2A
SCHEMBL6986329 0.73 GRIN1 (0.57) GRIN1GRIN2BALDH1A1DRD2
SCHEMBL6987164 0.73 SIGMAR1 (0.46) SIGMAR1TMEM97ABCB1

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 256/4885MEN1 3131/4885

“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.