SCHEMBL4730950

SCHEMBL4730950

CC(C)Oc1ccccc1N1CCN(C[C@H]2CC(C(=O)N3CCc4ccccc43)=NO2)CC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.59
ADRA1A P35348 3/20 0.59
ADRA1B P35368 2/20 0.59
HTR1A P08908 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4731398 1.00 ADRA1D (0.59) ADRA1DADRA1AADRA1BHTR1ASMN1; SMN2
SCHEMBL4732783 1.00 ADRA1D (0.59) ADRA1DADRA1AADRA1BHTR1ASMN1; SMN2
SCHEMBL4728974 0.95 ADRA1D (0.53) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL4730883 0.92 ADRA1D (0.52) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL4729723 0.92 ADRA1D (0.52) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL4728449 0.91 ADRA1D (0.51) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL4874517 0.91 ADRA1D (0.51) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL4733169 0.91 ADRA1D (0.51) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL4867607 0.90 ADRA1D (0.50) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL4727644 0.88 ADRA1D (0.49) ADRA1DADRA1AADRA1BHTR1A

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 5 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

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 2/4885ADRA1B 4/4885

“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.