SCHEMBL5841409

SCHEMBL5841409

BrCCCCn1ccc2c(Br)cccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.44
CCND1 P24385 4/20 0.44
HTR2C P28335 2/20 0.39
P2RX7 Q99572 2/20 0.38
CYP24A1 Q07973 3/20 0.37
CNR2 P34972 3/20 0.36
CNR1 P21554 2/20 0.36
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KLKB1 P03952 1/20 0.33
KLK1 P06870 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL28852853 0.88 HTR2C (0.41) CDK4CCND1HTR2CP2RX7CNR2
SCHEMBL281893 0.85 CNR2 (0.49) CDK4CCND1HTR2CCNR2CNR1
SCHEMBL849619 0.85 CDK4 (0.43) CDK4CCND1HTR2CP2RX7CYP24A1
SCHEMBL30777412 0.83 CDK4 (0.41) CDK4CCND1HTR2CP2RX7CYP24A1
SCHEMBL21359752 0.83 CDK4 (0.41) CDK4CCND1HTR2CP2RX7CYP24A1
SCHEMBL5794361 0.82 P2RX7 (0.54) CDK4CCND1HTR2CP2RX7CYP24A1
SCHEMBL879762 0.79 HTR2C (0.44) CDK4CCND1HTR2CCNR2
SCHEMBL851863 0.79 HTR2C (0.41) CDK4CCND1HTR2CHTR2A
SCHEMBL16302302 0.79 CNR2 (0.39) CDK4CCND1HTR2CP2RX7CYP24A1
SCHEMBL24917110 0.78 HTR2C (0.56) CDK4CCND1HTR2CP2RX7CYP24A1

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 CDK4 3161/4885CCND1 674/4885HTR2C 73/4885

“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.