SCHEMBL5840932

SCHEMBL5840932

O=C(CCCN1CCN2CCCCC2C1)Nc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 12/20 0.60
TP53 P04637 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 1/20 0.50
SIGMAR1 Q99720 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL6981732 0.89 MEN1 (0.54) TP53SIGMAR1LMNA
SCHEMBL6987296 0.89 ALDH1A1 (0.54) CACNA1GGAASIGMAR1LMNA
SCHEMBL6986958 0.89 SMN1; SMN2 (0.54) CACNA1GTP53L3MBTL1GAALMNA
SCHEMBL6983602 0.89 SIGMAR1 (0.47) CACNA1GSIGMAR1
SCHEMBL6978967 0.89 LMNA (0.53) CACNA1GTP53SIGMAR1LMNA
SCHEMBL5842521 0.89 SIGMAR1 (0.57) CACNA1GL3MBTL1SIGMAR1
Hydrochloric Acid SCHEMBL5842633 0.88 SMN1; SMN2 (0.56) CACNA1GTP53L3MBTL1GAALMNA
Hydrochloric Acid SCHEMBL5842390 0.88 MEN1 (0.56) TP53GAASIGMAR1LMNA
Hydrochloric Acid SCHEMBL5842876 0.88 KMT2A (0.55) CACNA1GTP53SIGMAR1LMNA
SCHEMBL6983319 0.88 ALDH1A1 (0.57) CACNA1GTP53

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 CACNA1G 2389/4885TP53 1476/4885L3MBTL1 624/4885

“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.