SCHEMBL5833407

SCHEMBL5833407

Nc1cc(F)c(C2=CCN(Cc3ccccc3)CC2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.50
DRD2 P14416 8/20 0.48
HTR1A P08908 3/20 0.48
HTR2A P28223 1/20 0.48
HTT P42858 1/20 0.48
DRD4 P21917 9/20 0.47
DRD3 P35462 7/20 0.47
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HDAC4 P56524 1/20 0.45
MAPK1 P28482 1/20 0.43
NAMPT P43490 1/20 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
SCHEMBL6504162 0.85 DRD2 (0.52) HTR6DRD2HTR1AHTR2AHTT
SCHEMBL2582694 0.79 HDAC4 (0.58) DRD2HTR1AHTR2AHTTDRD4
SCHEMBL6683584 0.78 MEN1 (0.53) DRD2HTR1AHTR2AHTTDRD4
SCHEMBL6043002 0.78 DRD2 (0.59) HTR6DRD2HTR1AHTR2AHTT
SCHEMBL6924640 0.77 MEN1 (0.55) HTR6DRD2HTR1AHTR2AHTT
SCHEMBL4011956 0.77 GRM2 (0.42) HTR6DRD2HTR1AHTR2AHTT
SCHEMBL2395932 0.77 DRD4 (0.67) DRD2HTR1AHTR2AHTTDRD4
SCHEMBL2395917 0.76 MAPK1 (0.69) DRD2HTR1AHTR2AHTTDRD4
SCHEMBL973546 0.76 OPRM1 (0.52) HTR6DRD2HTR1AHTR2AHTT
SCHEMBL5834261 0.76 NAMPT (0.48) NAMPT

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-7087629-B2 Useful activity against Gram-positive pathogens and, in particular, against various strains exhibiting resistance to vancomycin and against E. faecium strains resistant to both aminoglycosides and clinically used beta-lactams ASTRAZENECA AB (SE) 2006-08-08 US disclosed
WO-2005082892-A2 TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2005-09-09 WO disclosed
US-6734200-B1 ANTIBIOTIC COMPOUNDS CONTAINING A SUBSTITUTED OXAZOLIDINONE RING; ACTIVITY AGAINST GRAM-POSITIVE PATHOGENS ASTRAZENECA AB (SE) 2004-05-11 US disclosed
US-20030207899-A1 Heterocyclylaminomethyloxazo-lidinones as antibacterials ASTRAZENECA AB (SE) 2003-11-06 US disclosed
US-6617339-B1 5-Isoxazolyloxymethyl-3-((dihydroxypropanoyl)-4-tetrahydropyri dyl-3,5- difluorophenyl)oxazolidinone, or the phosphated derivative or its disodium salt; antibiotic with useful activity against Grampositive pathogens SYNGENTA LIMITED (GB) 2003-09-09 US disclosed
US-20030144263-A1 Oxazolidinone derivatives, process for their preparation and pharmaceutical compositions containing them SYNGENTA LIMITED (GB) 2003-07-31 US disclosed
WO-2002096916-A1 PROCESS FOR PHOSPHORYLATION ASTRAZENECA AB (SE) 2002-12-05 WO disclosed
EP-1237895-A2 PHOSPHORYLATION OF TERMINAL PRIMARY ALCOHOL GROUPS AstraZeneca AB (SE) 2002-09-11 EP disclosed
WO-2001040236-A2 PHOSPHORYLATION OF TERMINAL PRIMARY ALCOHOL GROUPS ASTRAZENECA AB (SE) 2001-06-07 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-20030144263-A1 Oxazolidinone derivatives, process for their preparation and pharmaceutical compositions containing them CYP3A5, CYP2D6, OXA1L HTR6 1131/4885DRD2 835/4885HTR1A 2505/4885
US-20030207899-A1 Heterocyclylaminomethyloxazo-lidinones as antibacterials HDHD5, CYP8B1, LSS HTR6 573/4885DRD2 388/4885HTR1A 466/4885

“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.