SCHEMBL3167684

SCHEMBL3167684

C=CCC1CC(C2CC(CC=C)C(=O)O2)NC1=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.39
CTRC Q99895 2/20 0.39
F2 P00734 1/20 0.39
ALDH1A1 P00352 1/20 0.35
ELANE P08246 1/20 0.30
CTSG P08311 1/20 0.30

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
SCHEMBL9450640 0.71 PRSS1 (0.39) PRSS1CTRCF2ALDH1A1
SCHEMBL9450639 0.71 PRSS1 (0.39) PRSS1CTRCF2ALDH1A1
SCHEMBL9450611 0.71 PRSS1 (0.39) PRSS1CTRCF2ALDH1A1
SCHEMBL19441223 0.69 PRSS1 (0.38) PRSS1CTRCF2ELANECTSG
SCHEMBL14883094 0.69 KMT2A (0.42) PRSS1CTRCF2ALDH1A1ELANE
SCHEMBL577431 0.69 KMT2A (0.42) PRSS1CTRCF2ALDH1A1ELANE
SCHEMBL14882894 0.69 PRSS1 (0.38) PRSS1CTRCF2ELANECTSG
SCHEMBL9487973 0.69 PRSS1 (0.38) PRSS1CTRCF2ELANECTSG
SCHEMBL16014176 0.68 PRSS1 (0.38) PRSS1CTRCF2ALDH1A1
SCHEMBL11220219 0.67 PRSS1 (0.36) PRSS1CTRCF2ELANECTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2014196312-A DERIVATIVE OF 3-ALKYL-5-(4-ALKYL-5-OXO-TETRAHYDROFURAN-2-YL)PYRROLIDIN-2-ONE AS SYNTHETIC INTERMEDIATE FOR RENIN INHIBITOR ノバルティス アーゲー 2014-10-16 JP disclosed
EP-1948643-B1 3-ALKYL-5- (4-ALKYL-5-OXO-TETRAHYDROFURAN-2-YL) PYRROLIDIN-2-ONE DERIVATIVES AS INTERMEDIATES IN THE SYNTHESIS OF RENIN INHIBITORS NOVARTIS AG (CH) 2013-06-05 EP disclosed
CN-103121995-A 3-alkyl-5- (4-alkyl-5-oxo-tetrahydrofutran-2-yl) pyrrolidin-2-one derivatives as intermediates in the synthesis of renin inhibitors NOVARTIS AG 2013-05-29 CN disclosed
CN-101111493-B 3-alkyl-5- (4-alkyl-5-oxo-tetrahydrofuran-2-yl) pyrrolidin-2-one derivatives as intermediates in the synthesis of renin inhibitors NOVARTIS AG 2013-02-13 CN 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-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
EP-1948643-A2 3-ALKYL-5- (4-ALKYL-5-OXO-TETRAHYDROFURAN-2-YL) PYRROLIDIN-2-ONE DERIVATIVES AS INTERMEDIATES IN THE SYNTHESIS OF RENIN INHIBITORS Novartis AG (CH) 2008-07-30 EP disclosed
CN-101111493-A 3-alkyl-5- (4-alkyl-5-oxo-tetrahydrofuran-2-yl) pyrrolidin-2-one derivatives as intermediates in the synthesis of renin inhibitors NOVARTIS AG (CH) 2008-01-23 CN disclosed
WO-2007045420-A3 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) 2007-06-07 WO 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 (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-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 PRSS1 278/4885CTRC 1069/4885F2 626/4885

“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.