SCHEMBL13040048

SCHEMBL13040048

CCCC(=O)Nc1ccc(OCC(O)CN(C(=O)c2ccc(CO[N+](=O)[O-])cc2)C(C)C)c(C(C)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 3/20 0.56
▸ ADRB1 P08588 3/20 0.56
▸ LMNA P02545 3/20 0.56
▸ SLC22A1 O15245 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.55
▸ KCNH2 Q12809 1/20 0.41
▸ ABCB1 P08183 5/20 0.41
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ PSMB5 P28074 1/20 0.36
▸ ADRB3 P13945 1/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL13040047 0.91 LMNA (0.49) ADRB2ADRB1LMNASLC22A1HIF1A
SCHEMBL13077497 0.88 ADRB2 (0.58) ADRB2ADRB1LMNASLC22A1HIF1A
SCHEMBL13040052 0.82 ADRB2 (0.56) ADRB2ADRB1LMNASLC22A1HIF1A
SCHEMBL13040046 0.80 ADRB2 (0.60) ADRB2ADRB1LMNASLC22A1HIF1A
SCHEMBL13077480 0.79 ADRB2 (0.51) ADRB2ADRB1LMNASLC22A1HIF1A
SCHEMBL13040043 0.75 NR2E1 (0.44) ADRB2ADRB1LMNASLC22A1KDM4E
SCHEMBL13077702 0.74 ADRB2 (0.61) ADRB2ADRB1LMNASLC22A1HIF1A
SCHEMBL10833323 0.74 ADRB2 (0.77) ADRB2ADRB1LMNASLC22A1HIF1A
SCHEMBL10832901 0.74 ADRB2 (0.77) ADRB2ADRB1LMNASLC22A1HIF1A
Acebutolol SCHEMBL9062035 0.73 ADRB2 (0.98) ADRB2ADRB1LMNASLC22A1HIF1A

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 2/4885LMNA 829/4885

“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.

Send feedback