SCHEMBL3389163

SCHEMBL3389163

CC(C)[C@@H](COCc1ccccc1)CC1COC(C)(C)N1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB11 A5LHX3 2/20 0.35
PSMD11 O00231 2/20 0.35
PSMD12 O00232 2/20 0.35
PSMD14 O00487 2/20 0.35
PSMA7 O14818 2/20 0.35
PSMD3 O43242 2/20 0.35
PSMC3 P17980 2/20 0.35
PSMB1 P20618 2/20 0.35
PSMA1 P25786 2/20 0.35
PSMA2 P25787 2/20 0.35
PSMA3 P25788 2/20 0.35
PSMA4 P25789 2/20 0.35
PSMB8 P28062 2/20 0.35
PSMB9 P28065 2/20 0.35
PSMA5 P28066 2/20 0.35
PSMB4 P28070 2/20 0.35
PSMB6 P28072 2/20 0.35
PSMB5 P28074 2/20 0.35
PSMC2 P35998 2/20 0.35
PSMB10 P40306 2/20 0.35

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
SCHEMBL1051333 1.00 PSMB11 (0.35) PSMB11PSMD11PSMD12PSMD14PSMA7
SCHEMBL3389166 1.00 PSMB11 (0.35) PSMB11PSMD11PSMD12PSMD14PSMA7
SCHEMBL1047524 0.89 KLK7 (0.40) HTR2CKLK7KLK5
SCHEMBL3390160 0.89 KLK7 (0.40) HTR2CKLK7KLK5
SCHEMBL3390164 0.89 KLK7 (0.40) HTR2CKLK7KLK5
SCHEMBL27847181 0.77 EPHX2 (0.42) PSMB11PSMD11PSMD12PSMD14PSMA7
SCHEMBL3465573 0.77
SCHEMBL3465570 0.77
SCHEMBL3387963 0.76
SCHEMBL3387960 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756037-B1 AMINO ALCOHOL DERIVATIVES AND THEIR ACTIVITY AS RENIN INHIBITORS NOVARTIS AG (CH) 2010-12-15 EP disclosed
US-7786307-B2 suchas N-(4(S)-amino-5(S)-hydroxy-2(S)-isopropyl-6-piperidin-1-ylhexyl)-2-(3-methoxypropoxy)benzamide dihydrochloride, used for the treatment of hypertension, cardiovasculr disorders, complications owing to diabetes, vision deffects, hyperaldosteronism, states of anxiety and cognitive disorders NOVARTIS AG (CH) 2010-08-31 US disclosed
US-20070155743-A1 Amino alcohol derivatives and their activity as renin inhibitors NOVARTIS PHARMA AG (CH) 2007-07-05 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-20070155743-A1 Amino alcohol derivatives and their activity as renin inhibitors REN, AGTR1, AGTR2 PSMB11 1066/4885PSMD11 1959/4885PSMD12 2786/4885

“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.