SCHEMBL13040064

SCHEMBL13040064

COC(=O)CCc1ccc(OCC(CN(C(=O)COCCO[N+](=O)[O-])C(C)C)OC(=O)COCCO[N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ PSMB5 P28074 7/20 0.36
▸ CYP2D6 P10635 3/20 0.33
▸ HTR2A P28223 3/20 0.33

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
SCHEMBL13040113 0.92 NPY1R (0.36) ADRB2ADRB1PSMB5CYP2D6HTR2A
SCHEMBL14571130 0.89 PSMB5 (0.37) ADRB2ADRB1PSMB5CYP2D6
SCHEMBL13077519 0.87 ADRB2 (0.43) ADRB2ADRB1PSMB5CYP2D6HTR2A
SCHEMBL13040066 0.86 ADRB2 (0.43) ADRB2ADRB1CYP2D6HTR2A
SCHEMBL13040058 0.85 ADRB2 (0.41) ADRB2ADRB1PSMB5
SCHEMBL13040065 0.84 ADRB1 (0.56) ADRB2ADRB1CYP2D6
SCHEMBL13040082 0.81 ADRB2 (0.51) ADRB2ADRB1PSMB5
SCHEMBL13040109 0.79 NPY1R (0.37) ADRB2ADRB1CYP2D6HTR2A
SCHEMBL13077486 0.78 NPY1R (0.38) ADRB2ADRB1PSMB5CYP2D6HTR2A
SCHEMBL14571134 0.78 ADRB2 (0.43) ADRB2ADRB1CYP2D6HTR2A

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-7825263-B2 Nitrooxyderivatives of carvedilol and other beta blockers as antihypertensive NICOX S.A. (FR) 2010-11-02 — — US disclosed
US-20070072854-A1 Nitrooxyderivatives of carvedilol and other beta blockers as antihypertensive NICOX S.A. (FR) 2007-03-29 — — 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-20070072854-A1 Nitrooxyderivatives of carvedilol and other beta blockers as antihypertensive ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRB1 2/4885PSMB5 623/4885

“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.

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