SCHEMBL13040082

SCHEMBL13040082

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.51
▸ ADRB1 P08588 1/20 0.51
▸ ABCB1 P08183 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PSMB5 P28074 4/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ GAA P10253 1/20 0.38

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
SCHEMBL13077520 0.86 ADRB2 (0.53) ADRB2ADRB1ABCB1MEN1KMT2A
SCHEMBL14571133 0.82 ADRB2 (0.51) ADRB2ADRB1ABCB1MEN1KMT2A
SCHEMBL13077539 0.82 ADRB2 (0.53) ADRB2ADRB1ABCB1MEN1KMT2A
SCHEMBL14571125 0.81 ADRB2 (0.49) ADRB2ADRB1ABCB1MEN1KMT2A
SCHEMBL13040064 0.81 ADRB2 (0.41) ADRB2ADRB1PSMB5
SCHEMBL14571132 0.77 ADRB2 (0.46) ADRB2ADRB1ABCB1MEN1KMT2A
SCHEMBL13040066 0.76 ADRB2 (0.43) ADRB2ADRB1CA12CA1CA2
SCHEMBL13040059 0.75 ADRB2 (0.50) ADRB2ADRB1ABCB1MEN1KMT2A
SCHEMBL13040113 0.72 NPY1R (0.36) ADRB2ADRB1PSMB5
SCHEMBL13077545 0.72 ADRB2 (0.53) ADRB2ADRB1ABCB1MEN1KMT2A

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 2/4885ABCB1 360/4885

“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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