SCHEMBL5842922

SCHEMBL5842922

N#Cc1ccc2c(ccn2CCCCBr)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.56
PLG P00747 1/20 0.48
PLAU P00749 1/20 0.48
CDK4 P11802 4/20 0.44
CCND1 P24385 4/20 0.44
CYP19A1 P11511 2/20 0.42
PRMT5 O14744 1/20 0.42
CDC7 O00311 1/20 0.39
ENPP3 O14638 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
KDM1A O60341 1/20 0.36
RORC P51449 1/20 0.36
NPY5R Q15761 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL15577123 0.85 P2RX7 (0.56) P2RX7PLGPLAUCDK4CCND1
SCHEMBL17242289 0.85 P2RX7 (0.56) P2RX7PLGPLAUCDK4CCND1
SCHEMBL16824128 0.84 P2RX7 (0.55) P2RX7PLGPLAUCDK4CCND1
SCHEMBL17242442 0.84 P2RX7 (0.54) P2RX7PLGPLAUCDK4CCND1
SCHEMBL4334807 0.81 P2RX7 (0.52) P2RX7PLGPLAUCDK4CCND1
SCHEMBL28315634 0.80 P2RX7 (0.50) P2RX7PLGPLAUCDK4CCND1
SCHEMBL27726369 0.80 P2RX7 (0.51) P2RX7PLGPLAUCDK4CCND1
SCHEMBL5487411 0.80 P2RX7 (0.54) P2RX7PLGPLAUCDK4CCND1
SCHEMBL413159 0.79 FFAR4 (0.55) P2RX7PLGPLAUCYP19A1PRMT5
SCHEMBL5791630 0.77 P2RX7 (0.53) P2RX7PLGPLAUCDK4CCND1

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 P2RX7 792/4885PLG 3598/4885PLAU 4546/4885

“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.