SCHEMBL4231975

SCHEMBL4231975

CCCCN1CCC(Oc2ccc(C#N)c(C)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.57
MAOA P21397 2/20 0.54
MAOB P27338 2/20 0.54
NOS3 P29474 2/20 0.47
NOS1 P29475 2/20 0.47
NOS2 P35228 2/20 0.47
HRH1 P35367 2/20 0.47
CCR3 P51677 1/20 0.47
PARP1 P09874 3/20 0.45
HRH2 P25021 1/20 0.40
AR P10275 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL4236980 0.87 HRH3 (0.56) HRH3MAOAMAOBNOS3NOS1
SCHEMBL4232384 0.87 HRH3 (0.56) HRH3MAOAMAOBNOS3NOS1
SCHEMBL10426265 0.81 MAOA (0.57) HRH3MAOAMAOBHRH1CCR3
SCHEMBL4237104 0.81 HRH3 (0.85) HRH3MAOAMAOBHRH1CCR3
SCHEMBL4227908 0.78 MAOA (0.56) HRH3MAOAMAOBHRH1CCR3
SCHEMBL16483388 0.78 AR (0.48) HRH3AR
SCHEMBL4237302 0.78 HRH3 (0.55) HRH3MAOAMAOBNOS3NOS1
SCHEMBL4237668 0.77 HRH3 (0.44) HRH3MAOAMAOBNOS3NOS1
SCHEMBL10426659 0.77 MAOA (0.55) HRH3MAOAMAOBPARP1
SCHEMBL14553122 0.76 AR (0.47) HRH3MAOAMAOBAR

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 3 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 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 HRH3 210/4885MAOA 219/4885MAOB 169/4885

“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.