SCHEMBL13902

SCHEMBL13902

NCCCCCN1CCN(c2c[nH]c(NC(=O)Nc3ccccc3OC(F)(F)F)nc2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
HTR1A P08908 6/20 0.38
HTR7 P34969 4/20 0.38
CHRM3 P20309 8/20 0.37
DRD2 P14416 3/20 0.37
DRD4 P21917 3/20 0.37
DRD3 P35462 3/20 0.37
ADRA2A P08913 2/20 0.37
DRD1 P21728 2/20 0.37
DRD5 P21918 2/20 0.37
HTR2A P28223 2/20 0.37
ADRA1A P35348 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL14117 0.99 HTR1A (0.38) BACE1HTR1AHTR7CHRM3DRD2
SCHEMBL13541 0.97 HTR1A (0.38) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL13788 0.94 GBA1 (0.36) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL14021 0.90 FAAH (0.41) HTR1ADRD2DRD4DRD3ADRA2A
SCHEMBL13626 0.89 FAAH (0.41) HTR1ADRD2DRD4DRD3ADRA2A
SCHEMBL14064 0.88 GAA (0.42) HTR1ADRD2DRD4DRD3ADRA2A
SCHEMBL14191 0.87 GAA (0.36) CHRM3GAA
SCHEMBL17486549 0.86 ADRA1A (0.39) HTR1AHTR7DRD2DRD4DRD3
SCHEMBL13757 0.86 SLC6A4 (0.44) CHRM3DRD2
SCHEMBL14850249 0.86 P2RY1 (0.34) DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 US disclosed
US-8865731-B2 Inhibitor of analgesic tolerance KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-10-21 US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT BACE1 3238/4885HTR1A 4608/4885HTR7 4447/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT BACE1 3238/4885HTR1A 4608/4885HTR7 4447/4885

“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.