SCHEMBL4237805

SCHEMBL4237805

CCCCN1CCC(Oc2cc(F)c(C#N)cc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.45
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HTR4 Q13639 5/20 0.39
GPR6 P46095 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
HTR1D P28221 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
HTR2B P41595 1/20 0.37
HRH1 P35367 5/20 0.36
KCNH2 Q12809 4/20 0.36
CCR3 P51677 1/20 0.36

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
SCHEMBL4237668 0.91 HRH3 (0.44) HRH3NOS3NOS1NOS2MAOA
SCHEMBL4233991 0.82 HRH3 (0.56) HRH3MAOAMAOBGPR6DRD2
SCHEMBL4236980 0.82 HRH3 (0.56) HRH3NOS3NOS1NOS2MAOA
SCHEMBL4238943 0.78 HTR4 (0.45) MAOAMAOBHTR4ADRA2BADRA2C
SCHEMBL4233686 0.77 HRH1 (0.39) GPR6DRD2HTR2CHRH1KCNH2
SCHEMBL4238793 0.75 MAOA (0.43) HRH3MAOAMAOBHTR4HTR2C
SCHEMBL4689209 0.74 GPR6 (0.40) HRH3GPR6HRH1KCNH2CCR3
SCHEMBL4228461 0.74 HRH3 (0.57) HRH3MAOAMAOBDRD2DRD3
SCHEMBL4231975 0.74 HRH3 (0.57) HRH3NOS3NOS1NOS2MAOA
SCHEMBL4232384 0.73 HRH3 (0.56) HRH3NOS3NOS1NOS2MAOA

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 1 patent. 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

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 210/4885NOS3 3656/4885NOS1 3581/4885

“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.