SCHEMBL7249840

SCHEMBL7249840

CCN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.72
HRH2 P25021 3/20 0.57
HRH1 P35367 3/20 0.57
HRH3 Q9Y5N1 1/20 0.57
DRD2 P14416 4/20 0.55
DRD4 P21917 4/20 0.55
DRD3 P35462 4/20 0.55
HTR2C P28335 4/20 0.55
HTR2A P28223 4/20 0.55
CHRM1 P11229 3/20 0.55
ADRB2 P07550 2/20 0.55
CHRM2 P08172 2/20 0.55
CHRM4 P08173 2/20 0.55
HTR1A P08908 2/20 0.55
CHRM5 P08912 2/20 0.55
ADRA2A P08913 2/20 0.55
ADORA3 P0DMS8 2/20 0.55
ADRA2B P18089 2/20 0.55
ADRA2C P18825 2/20 0.55
CHRM3 P20309 2/20 0.55

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
SCHEMBL4192075 0.86 HRH4 (0.83) HRH4HRH2HRH1HRH3DRD2
SCHEMBL3858913 0.86 HRH4 (0.64) HRH4HRH2HRH1HRH3DRD2
SCHEMBL11505298 0.86 HRH4 (0.54) HRH4HRH2HRH1HRH3DRD2
Hydrochloric Acid SCHEMBL3838758 0.85 HRH4 (0.81) HRH4HRH2HRH1HRH3DRD2
SCHEMBL8930476 0.85 HRH4 (0.67) HRH4HRH2HRH1HRH3DRD2
SCHEMBL9078990 0.85 HRH4 (0.67) HRH4HRH2HRH1HRH3DRD2
SCHEMBL8930480 0.85 HRH4 (0.67) HRH4HRH2HRH1HRH3DRD2
SCHEMBL140907 0.84 HRH4 (1.00) HRH4HRH2HRH1HRH3DRD2
SCHEMBL4194509 0.84 HRH4 (0.69) HRH4HRH2HRH1HRH3DRD2
SCHEMBL7406087 0.84 DRD3 (0.56) HRH4HRH2HRH1HRH3DRD2

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-20030135042-A1 Atypical antipsychotic agents having low affinity for the D2 Receptor NEUROMOLECULAR, INC. (CA) 2003-07-17 US claimed

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-20030135042-A1 Atypical antipsychotic agents having low affinity for the D2 Receptor OPRD1, HTR1A, DRD2 HRH4 528/4885HRH2 541/4885HRH1 638/4885

“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.