SCHEMBL5452997

SCHEMBL5452997

CC1=C(C(=O)O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1

nearest known ligand 0.89

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 20/20 0.89
ADRA1D P25100 17/20 0.89
ADRA1B P35368 17/20 0.89
ADRA2A P08913 15/20 0.89
ADRA2B P18089 15/20 0.89
ADRA2C P18825 15/20 0.89
TDP1 Q9NUW8 1/20 0.85

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
SCHEMBL5453007 1.00 ADRA1A (0.89) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL5165068 0.93 ADRA1A (0.98) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL5919546 0.93 ADRA1A (0.98) ADRA1AADRA1DADRA1BADRA2AADRA2B
Hydrochloric Acid SCHEMBL7033291 0.91 ADRA1A (0.98) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL8330956 0.82 ADRA1A (0.68) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL28941106 0.81 ADRA1A (0.59) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL7237529 0.81 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2B
Hydrochloric Acid SCHEMBL8537000 0.80 ADRA1A (0.98) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL31061130 0.78 ADRA1A (0.85) ADRA1AADRA1DADRA1BADRA2AADRA2B
Hydrochloric Acid SCHEMBL7240209 0.78 ADRA1A (0.85) ADRA1AADRA1DADRA1BADRA2AADRA2B

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-20070078181-A1 Use of a beta-3-agonist for the treatment of patients with spinal cord injury and suffering from renal and bladder complaints MICHEL MARTIN C 2007-04-05 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-20070078181-A1 Use of a beta-3-agonist for the treatment of patients with spinal cord injury and suffering from renal and bladder complaints ADRB3, ADRB2, ADRB1 ADRA1A 9/4885ADRA1D 11/4885ADRA1B 8/4885

“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.