SCHEMBL4432866

SCHEMBL4432866

CC(C)(C)N(C[C@H](O)COc1nsnc1N1CCOCC1)C(=O)c1ccc(CO[N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR1A P08908 1/20 0.51
CYP2D6 P10635 1/20 0.51
ADRB3 P13945 1/20 0.51
NFKB1 P19838 1/20 0.51
DRD1 P21728 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
BLM P54132 1/20 0.50
ALDH1A1 P00352 6/20 0.44
TSHR P16473 2/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41

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
SCHEMBL14570465 1.00 CYP1A2 (0.51) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL14570464 0.90 CYP1A2 (0.45) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL5548599 0.88 CYP1A2 (0.55) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL4431221 0.88 CYP1A2 (0.50) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL13953931 0.81 CYP1A2 (0.51) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL20511540 0.80 CYP1A2 (0.63) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL20511541 0.80 CYP1A2 (0.63) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL14570463 0.79 CYP1A2 (0.56) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL13954132 0.79 TDP1 (0.46) CYP1A2ADRB2ADRB1CYP3A4HTR1A
SCHEMBL4423699 0.79 CYP1A2 (0.47) CYP1A2ADRB2ADRB1CYP3A4HTR1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748994-B1 NITROOXYDERIVATIVES OF ANTIHYPERTENSIVE DRUGS NICOX SA (FR) 2009-02-18 EP claimed
US-20070060586-A1 Nitrooxyderivatives of antihypertensive drugs NICOX S.A. (FR) 2007-03-15 US claimed
EP-1748994-A1 NITROOXYDERIVATIVES OF ANTIHYPERTENSIVE DRUGS NicOx S.A. (FR) 2007-02-07 EP claimed
WO-2005054218-A1 NITROOXYDERIVATIVES OF ANTIHYPERTENSIVE DRUGS NICOX S.A. (FR) 2005-06-16 WO claimed
EP-1748994-B1 NITROOXYDERIVATIVES OF ANTIHYPERTENSIVE DRUGS NICOX SA (FR) 2009-02-18 EP disclosed
US-20070060586-A1 Nitrooxyderivatives of antihypertensive drugs NICOX S.A. (FR) 2007-03-15 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-20070060586-A1 Nitrooxyderivatives of antihypertensive drugs ADRB2, ADRB1, ADRA2B CYP1A2 98/4885ADRB2 1/4885ADRB1 2/4885

“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.