SCHEMBL3867987

SCHEMBL3867987

CCOC(=O)CCC(CC(C)C)C[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.35
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.32
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL2912395 0.84 CPA1 (0.45) CPA1MGAMGAASIMGAM2
SCHEMBL1228652 0.84 CPA1 (0.45) CPA1MGAMGAASIMGAM2
SCHEMBL1410099 0.84 CPA1 (0.45) CPA1MGAMGAASIMGAM2
SCHEMBL29021054 0.76 KDM4E (0.36) CPA1MGAMGAASIMGAM2
SCHEMBL17674185 0.74 L3MBTL1 (0.45) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL25295269 0.73 L3MBTL1 (0.47) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL1664773 0.73 MAPT (0.38) CPA1L3MBTL1POLBCYP1A2MGAM
SCHEMBL3121387 0.73 KDM4E (0.39) CPA1MGAMGAASIMGAM2
SCHEMBL18775322 0.72 CPA1 (0.44) CPA1
SCHEMBL103981 0.72 L3MBTL1 (0.53) L3MBTL1KMT2APOLBCYP1A2MGAM

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
WO-2009127560-A1 INTERMEDIATES FOR THE PREPARATION OF PREGABALIN AND PROCESS FOR THEIR PREPARATION CHEMO IBÉRICA, S.A. (ES) 2009-10-22 WO disclosed
EP-2110372-A1 Intermediates for the preparation of Pregabalin and process for their preparation Chemo Ibérica, S.A. (ES) 2009-10-21 EP disclosed
WO-2009053446-A2 PREGABALIN INTERMEDIATES AND PROCESS FOR PREPARING THEM AND PREGABALIN CHEMO IBÉRICA, S.A. (ES) 2009-04-30 WO disclosed
EP-2053040-A1 Pregabalin intermediates and process for preparing them and Pregabalin Chemo Ibérica, S.A. (ES) 2009-04-29 EP disclosed
US-7141695-B2 Methods for producing substituted acrylic acid esters and use of the latter for producing substituted γ-amino acids GRUNENTHAL GMBH (DE) 2006-11-28 US disclosed
US-20050043565-A1 Methods for producing substituted acrylic acid esters and use of the latter for producing substituted $G (G)-amino acids GRUNENTHAL GMBH (DE) 2005-02-24 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-20050043565-A1 Methods for producing substituted acrylic acid esters and use of the latter for producing substituted $G (G)-amino acids GLUL, SUCLG2, RIMKLA CPA1 3568/4885L3MBTL1 3517/4885KMT2A 3149/4885

“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.