SCHEMBL4866052

SCHEMBL4866052

O=C(O)C1CC(CC2CCC2)CCN1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.58
GRIN3B O60391 2/20 0.58
GRIN1 Q05586 2/20 0.58
GRIN2A Q12879 2/20 0.58
GRIN2B Q13224 2/20 0.58
GRIN2C Q14957 2/20 0.58
GRIN3A Q8TCU5 2/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.58
THRB P10828 1/20 0.58
ALOX15 P16050 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 1/20 0.58
GRIA1 P42261 1/20 0.58
GRIA2 P42262 1/20 0.58
GRIA3 P42263 1/20 0.58
GRIA4 P48058 1/20 0.58
ARG1 P05089 1/20 0.57

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
SCHEMBL5517139 0.95 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4871915 0.93 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5750413 0.89 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4870493 0.86 ARG1 (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Trifluoroacetic Acid SCHEMBL1242348 0.83 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Trifluoroacetic Acid SCHEMBL1242352 0.83 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1242060 0.81 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16611675 0.81 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27503838 0.79 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5509149 0.79 ARG1 (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256177-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-08-14 US claimed
US-7199105-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-04-03 US claimed
EP-1654268-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2006-05-10 EP claimed
US-20050215488-A1 Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides VICURON PHARMACEUTICALS INC. 2005-09-29 US claimed
WO-2005007665-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2005-01-27 WO claimed
US-20040230046-A1 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. 2004-11-18 US claimed
CN-1823083-B Lincomycin derivatives with antimicrobial activity VICURON PHARM INC 2010-05-26 CN disclosed
US-7361743-B2 Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides PFIZER INC (US) 2008-04-22 US disclosed
US-7256177-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-08-14 US disclosed
EP-1814893-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2007-08-08 EP disclosed
US-7199105-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-04-03 US disclosed
US-7199106-B2 Lincomycin derivatives possessing antimicrobial activity VICURON PHARMACEUTICALS, INC. (US) 2007-04-03 US disclosed
CN-1823083-A Novel lincomycin derivatives with antimicrobial activity VICURON PHARM INC (US) 2006-08-23 CN disclosed
EP-1654268-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2006-05-10 EP disclosed
EP-1644393-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIMICROBIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2006-04-12 EP disclosed
US-20050215488-A1 Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides VICURON PHARMACEUTICALS INC. 2005-09-29 US disclosed
US-20050043248-A1 Novel lincomycin derivatives possessing antimicrobial activity VICURON PHARMACEUTICALS INC. 2005-02-24 US disclosed
WO-2005012320-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIMICROBIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2005-02-10 WO disclosed
WO-2005007665-A2 LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2005-01-27 WO disclosed
US-20040230046-A1 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. 2004-11-18 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 (3 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-20040230046-A1 Lincomycin derivatives possessing antibacterial activity NRDC, NISCH, CLSPN GRIN2D 4589/4885GRIN3B 4260/4885GRIN1 4287/4885
US-20050215488-A1 Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides PAM, MLYCD, PPT1 GRIN2D 2138/4885GRIN3B 3484/4885GRIN1 3151/4885
US-20050043248-A1 Novel lincomycin derivatives possessing antimicrobial activity LCLAT1, NRDC, LAS1L GRIN2D 4609/4885GRIN3B 4166/4885GRIN1 4361/4885

“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.