SCHEMBL5841534

SCHEMBL5841534

Clc1cc(Cl)c2c(ccn2CCCCBr)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.49
KRAS P01116 1/20 0.38
CDK4 P11802 3/20 0.35
CCND1 P24385 3/20 0.35
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
HDAC6 Q9UBN7 3/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
MCL1 Q07820 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
PNMT P11086 1/20 0.31
KMO O15229 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL5846042 0.75 RHEB (0.36) ACLYCDK4CCND1PLGPLAU
SCHEMBL2184235 0.74 ADRA2A (0.45) ACLYCDK4CCND1
SCHEMBL6983245 0.70 HTR7 (0.54) ACLY
SCHEMBL5790326 0.67 CDK4 (0.43) CDK4CCND1
SCHEMBL18708257 0.67 HTR2A (0.53) CDK4CCND1PLGPLAUMCL1
SCHEMBL29571527 0.65 CDK4 (0.81) CDK4CCND1HTR2AHTR2C
SCHEMBL2410943 0.65 CDK4 (0.81) CDK4CCND1HTR2AHTR2C
SCHEMBL4946004 0.64 HSD11B1 (0.44)
SCHEMBL19187614 0.64 HTR2A (0.38) ACLYMCL1HTR2AHTR2CKMO
SCHEMBL5792293 0.64 P2RX7 (0.53) CDK4CCND1PLGPLAUHDAC6

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 ACLY 2375/4885KRAS 888/4885CDK4 3161/4885

“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.