SCHEMBL14146

SCHEMBL14146

N=C(N)NCCCCCN1CCC(c2c[nH]c(NC(=O)Nc3cccc(Cl)c3F)nc2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 18/20 0.44
HTR1A P08908 2/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR1E P28566 1/20 0.37
HTR1F P30939 1/20 0.37
HTR7 P34969 1/20 0.37
HTR2B P41595 1/20 0.37
HTR6 P50406 1/20 0.37
CCR5 P51681 1/20 0.37
TP53 P04637 1/20 0.36
DRD4 P21917 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36

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
SCHEMBL13919 0.99 CCR2 (0.43) CCR2HTR1ADRD2DRD3HTR1B
SCHEMBL17354262 0.91 CCR2 (0.39) CCR2
SCHEMBL14290 0.90 SLC6A4 (0.43) CCR2DRD2HTR1B
SCHEMBL13889 0.89 SLC6A4 (0.42) CCR2DRD2HTR1BHTR1F
SCHEMBL14850245 0.87 DRD2 (0.46) HTR1ADRD2DRD3HTR2AHTR2C
SCHEMBL17354239 0.87 KMT2A (0.44) CCR2
SCHEMBL14107 0.86 DRD2 (0.46) HTR1ADRD2DRD3HTR2AHTR2C
SCHEMBL14850251 0.86 CCR2 (0.40) CCR2DRD2HTR1B
SCHEMBL14139 0.85 CCR2 (0.39) CCR2DRD2HTR1BHTR1F
SCHEMBL14324 0.84 CCR2 (0.40) CCR2

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-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-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 CCR2 2598/4885HTR1A 4608/4885DRD2 2468/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CCR2 2598/4885HTR1A 4608/4885DRD2 2468/4885

“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.