SCHEMBL5841291

SCHEMBL5841291

COc1cc(C(=O)CCCCBr)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPK1 P28482 2/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
THPO P40225 1/20 0.48
MTOR P42345 1/20 0.48
SCN1A P35498 1/20 0.48
SCN2A Q99250 1/20 0.48
SCN3A Q9NY46 1/20 0.48
PMP22 Q01453 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL7834034 0.87 MEN1 (0.56) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL9508027 0.86 MAPK1 (0.42) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL9828028 0.86 MEN1 (0.62) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL24722331 0.85 MEN1 (0.55) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL7835759 0.85 MEN1 (0.58) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL11042463 0.84 MEN1 (0.51) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL6628602 0.83 POLB (0.61) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL10789717 0.83 KMT2A (0.53) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL8507477 0.83 MEN1 (0.53) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL503143 0.82 MEN1 (0.58) MEN1KMT2AALDH1A1KDM4EMAPK1

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 4 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
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 MEN1 3131/4885KMT2A 1994/4885ALDH1A1 429/4885

“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.