SCHEMBL4236255

SCHEMBL4236255

O=C(O)c1ccc2c(ccn2CCCN2CCCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 2/20 0.58
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
PLG P00747 1/20 0.49
PLAU P00749 1/20 0.49
HTR6 P50406 2/20 0.46
CNR2 P34972 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PLA2G4A P47712 1/20 0.43
P2RX7 Q99572 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 1/20 0.43
HTR7 P34969 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL4233332 0.92 ESRRG (0.60) ESRRGPLGPLAUHTR6PLA2G4A
SCHEMBL6750680 0.88 NOS3 (0.51) ESRRGDRD2DRD4DRD3PLG
SCHEMBL4228976 0.86 DRD4 (0.46) ESRRGDRD2DRD4DRD3PLG
SCHEMBL4238803 0.82 ESRRG (0.48) ESRRGDRD2DRD4DRD3HTR6
SCHEMBL1663349 0.81 CD274 (0.49) ESRRGPLGPLAUCNR2KDM4E
SCHEMBL3387602 0.80 HRH3 (0.54) ESRRGCNR2HRH3
SCHEMBL4813289 0.80 PLG (0.55) PLGPLAUPLA2G4A
SCHEMBL1749895 0.80 PLA2G4A (0.59) PLGPLAUPLA2G4A
SCHEMBL3390269 0.79 ABCB1 (0.56) ESRRGCNR2HRH3KDM4EHTR7
SCHEMBL30969220 0.79 ESRRG (0.54) ESRRGPLGPLAUHTR6HTR7

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-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US claimed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R ESRRG 957/4885DRD2 337/4885DRD4 423/4885

“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.