SCHEMBL13626

SCHEMBL13626

N=C(N)NCCCCN1CCN(c2c[nH]c(NC(=O)Nc3ccccc3OC(F)(F)F)nc2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.41
DRD2 P14416 11/20 0.41
DRD3 P35462 9/20 0.41
DRD4 P21917 8/20 0.41
HTR1A P08908 6/20 0.41
ADRA1A P35348 4/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1B P35368 2/20 0.41
HTR2A P28223 5/20 0.40
HTR2C P28335 3/20 0.40
HTR2B P41595 3/20 0.40
DRD1 P21728 3/20 0.40
ADRA2A P08913 2/20 0.40
DRD5 P21918 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL14021 0.99 FAAH (0.41) FAAHDRD2DRD3DRD4HTR1A
SCHEMBL14064 0.98 GAA (0.42) FAAHDRD2DRD3DRD4HTR1A
SCHEMBL13785 0.95 KDM4E (0.41) FAAHDRD2DRD3DRD4HTR1A
SCHEMBL17354486 0.90 DRD3 (0.41) FAAHDRD2DRD3DRD4HTR1A
SCHEMBL17486585 0.90 DRD2 (0.41) FAAHDRD2DRD3DRD4HTR1A
SCHEMBL14850238 0.89 ALDH1A1 (0.35) FAAHDRD2DRD3DRD4HTR1A
SCHEMBL14117 0.89 HTR1A (0.38) FAAHDRD2DRD3DRD4HTR1A
SCHEMBL14850229 0.89 GAA (0.40) FAAHDRD2DRD3DRD4HTR1A
SCHEMBL13902 0.89 BACE1 (0.38) DRD2DRD3DRD4HTR1AADRA1A
SCHEMBL13541 0.89 HTR1A (0.38) FAAHDRD2DRD3DRD4HTR1A

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 4 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-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
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 (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-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT FAAH 3013/4885DRD2 2468/4885DRD3 1527/4885

“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.