SCHEMBL4727642

SCHEMBL4727642

CC(C)Oc1ccccc1N1CCN(CC2CC(C(=O)N3CCC(S(=O)(=O)c4ccccc4)CC3)=NO2)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR1B P28222 1/20 0.44
ADRA1B P35368 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL4728314 0.88 ADRA1D (0.54) ADRA1DADRA1AHTR1ADRD2HTR1B
SCHEMBL4730274 0.87 ADRA1D (0.47) ADRA1DADRA1AHTR1ADRD2HTR1B
SCHEMBL4731329 0.86 ADRA1D (0.57) ADRA1DADRA1AHTR1ADRD2HTR1B
SCHEMBL4727648 0.86 ADRA1D (0.49) ADRA1DADRA1AHTR1ADRD2HTR1B
SCHEMBL4727064 0.86 ADRA1D (0.57) ADRA1DADRA1AHTR1ADRD2HTR1B
SCHEMBL4729791 0.85 ADRA1D (0.47) ADRA1DADRA1AHTR1ADRD2HTR1B
SCHEMBL4881236 0.85 ADRA1D (0.47) ADRA1DADRA1AHTR1ADRD2HTR1B
SCHEMBL4881883 0.85 ADRA1D (0.47) ADRA1DADRA1AHTR1ADRD2HTR1B
SCHEMBL4732855 0.85 ADRA1D (0.47) ADRA1DADRA1AHTR1ADRD2HTR1B
SCHEMBL4880719 0.85 ADRA1D (0.51) ADRA1DADRA1AHTR1ADRD2HTR1B

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-20080221116-A1 ISOXAZOLINE ALPHA 1a/1d ADRENORECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-11 US claimed
WO-2008033513-A1 ISOXAZOLINE ALPHA 1a/1d ADRENORECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-20 WO claimed
US-20080221116-A1 ISOXAZOLINE ALPHA 1a/1d ADRENORECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-11 US disclosed
US-20080221116-A1 ISOXAZOLINE ALPHA 1a/1d ADRENORECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-11 US disclosed
US-20080221116-A1 ISOXAZOLINE ALPHA 1a/1d ADRENORECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-11 US disclosed
WO-2008033513-A1 ISOXAZOLINE ALPHA 1a/1d ADRENORECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-20 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-20080221116-A1 ISOXAZOLINE ALPHA 1a/1d ADRENORECEPTOR ANTAGONISTS ADRA1D, ADRA1A, ADRB1 ADRA1D 1/4885ADRA1A 2/4885HTR1A 47/4885

“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.