SCHEMBL5102804

SCHEMBL5102804

O=C1c2ccccc2C(=O)N1CCCN1CCC(Oc2ccc(F)c(F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.48
HTR2A P28223 1/20 0.48
HTR1A P08908 3/20 0.47
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 0.46
MAOB P27338 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46

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
SCHEMBL9555919 0.87 HTR7 (0.61) HTR7HTR2AHTR1ADRD2DRD3
SCHEMBL6402560 0.84 HRH1 (0.55) HRH1
SCHEMBL7055287 0.80 HTR1A (0.50) HTR7HTR2AHTR1ADRD2DRD3
SCHEMBL5109440 0.80 CCR3 (0.45) HTR2AHTR1ADRD2DRD3HRH1
SCHEMBL7057916 0.78 HRH1 (0.59) HTR7HTR1ADRD2DRD3HRH1
SCHEMBL2250329 0.77 MAOB (0.59) HTR7HTR1ADRD2DRD3HRH1
SCHEMBL5099023 0.77 HRH3 (0.44) HTR7HTR2ADRD2HRH1MAOB
SCHEMBL26992312 0.76 HTR1A (0.62) HTR7HTR1ADRD2DRD3HRH1
SCHEMBL29459507 0.76 HTR1A (0.62) HTR7HTR1ADRD2DRD3HRH1
SCHEMBL7057848 0.76 DRD2 (0.59) HTR7HTR1ADRD2DRD3HRH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348341-B2 Chemical compounds ASTRAZENECA AB (SE) 2008-03-25 US disclosed
US-20030166652-A1 Chemical compounds ASTRAZENECA AB (SE) 2003-09-04 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-20030166652-A1 Chemical compounds CCR3, CCR1, CCR4 HTR7 2295/4885HTR2A 3289/4885HTR1A 2338/4885

“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.