SCHEMBL9907040

SCHEMBL9907040

COCCCOc1cc(C(=O)[C@@H](C[C@H](NC(=O)OCc2ccccc2)[C@@H](O)C[C@H](C(=O)O)C(C)C)C(C)C)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.49
CYP3A4 P08684 1/20 0.49
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HTR1A P08908 2/20 0.42
ADRA1D P25100 2/20 0.42
HTR2A P28223 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
HTR2B P41595 2/20 0.42
KCNH2 Q12809 2/20 0.42

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
SCHEMBL13090559 1.00 REN (0.49) RENCYP3A4SMPD1HDAC1HDAC8
SCHEMBL9907043 0.87 REN (0.46) RENCYP3A4
SCHEMBL9907045 0.87 REN (0.60) REN
SCHEMBL13090555 0.87 REN (0.46) RENCYP3A4
SCHEMBL13090547 0.86 REN (0.46) REN
SCHEMBL9907039 0.86 REN (0.46) REN
SCHEMBL9907036 0.77 REN (0.48) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL5020090 0.76 REN (0.72) REN
SCHEMBL13206687 0.75 REN (0.46) RENCYP3A4HTR1AADRA1DHTR2A
SCHEMBL862115 0.74 REN (0.59) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198465-B2 3-alkyl-5- (4-alkyl-5-oxo-tetrahydrofutran-2-yl) pyrrolidin-2-one derivatives as intermediates in the synthesis of renin inhibitors NOVARTIS AG (CH) 2012-06-12 US disclosed
US-8198465-B2 3-alkyl-5- (4-alkyl-5-oxo-tetrahydrofutran-2-yl) pyrrolidin-2-one derivatives as intermediates in the synthesis of renin inhibitors NOVARTIS AG (CH) 2012-06-12 US disclosed
US-20100267965-A1 3-Alkyl-5- (4-alkyl-5-oxo-tetrahydrofutran-2-yl) pyrrolidin-2-one Derivatives as Intermediates in the Synthesis of Renin Inhibitors NODEN PHARMA DESIGNATED ACTIVITY COMPANY (IE) 2010-10-21 US disclosed
US-20100267965-A1 3-Alkyl-5- (4-alkyl-5-oxo-tetrahydrofutran-2-yl) pyrrolidin-2-one Derivatives as Intermediates in the Synthesis of Renin Inhibitors NODEN PHARMA DESIGNATED ACTIVITY COMPANY (IE) 2010-10-21 US disclosed
US-7772405-B2 3-alkyl-5- (4-alkyl-5-oxo-tetrahydrofutran-2-yl) pyrrolidin-2-one derivatives as intermediates in the synthesis of renin inhibitors NOVARTIS AG (CH) 2010-08-10 US disclosed
US-7772405-B2 3-alkyl-5- (4-alkyl-5-oxo-tetrahydrofutran-2-yl) pyrrolidin-2-one derivatives as intermediates in the synthesis of renin inhibitors NOVARTIS AG (CH) 2010-08-10 US disclosed
US-20080262246-A1 3-Alkyl-5- (4-Alkyl-5-Oxo-Tetrahydrofutr An -2-Yl) Pyrrolidin-2-One Derivatives As Intermediates In The Synthesis Of Renin Inhibitors NODEN PHARMA DESIGNATED ACTIVITY COMPANY (IE) 2008-10-23 US disclosed
US-20080262246-A1 3-Alkyl-5- (4-Alkyl-5-Oxo-Tetrahydrofutr An -2-Yl) Pyrrolidin-2-One Derivatives As Intermediates In The Synthesis Of Renin Inhibitors NODEN PHARMA DESIGNATED ACTIVITY COMPANY (IE) 2008-10-23 US disclosed
WO-2007045420-A2 3-ALKYL-5- (4-ALKYL-5-OXO-TETRAHYDROFUTRAN-2-YL) PYRROLIDIN-2-ONE DERIVATIVES AS INTERMEDIATES IN THE SYNTHESIS OF RENIN INHIBITORS NOVARTIS AG (CH) 2007-04-26 WO 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 (2 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-20100267965-A1 3-Alkyl-5- (4-alkyl-5-oxo-tetrahydrofutran-2-yl) pyrrolidin-2-one Derivatives as Intermediates in the Synthesis of Renin Inhibitors REN, AGTR2, AGTR1 REN 1/4885CYP3A4 67/4885SMPD1 4511/4885
US-20080262246-A1 3-Alkyl-5- (4-Alkyl-5-Oxo-Tetrahydrofutr An -2-Yl) Pyrrolidin-2-One Derivatives As Intermediates In The Synthesis Of Renin Inhibitors REN, AGTR2, AGTR1 REN 1/4885CYP3A4 144/4885SMPD1 4208/4885

“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.