SCHEMBL13920

SCHEMBL13920

NCCCCCN1CCC(c2c[nH]c(NC(=O)Nc3cc(F)c(F)cc3F)nc2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.43
HTR1D P28221 8/20 0.41
HTR1B P28222 5/20 0.41
CHRM2 P08172 3/20 0.41
DRD2 P14416 2/20 0.41
HTR1F P30939 2/20 0.37
CCR2 P41597 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
ADRA1D P25100 2/20 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
SCHEMBL14162 0.99 SLC6A4 (0.41) SLC6A4HTR1DHTR1BCHRM2DRD2
SCHEMBL17354264 0.93 SLC6A4 (0.40) SLC6A4HTR1DHTR1BCHRM2DRD2
SCHEMBL17354216 0.92 SLC6A4 (0.39) SLC6A4HTR1DHTR1BCHRM2DRD2
SCHEMBL14850251 0.89 CCR2 (0.40) HTR1DHTR1BCHRM2DRD2CCR2
SCHEMBL14139 0.88 CCR2 (0.39) HTR1DHTR1BCHRM2DRD2HTR1F
SCHEMBL14290 0.85 SLC6A4 (0.43) SLC6A4HTR1DHTR1BCHRM2DRD2
SCHEMBL17354342 0.85 SLC6A4 (0.43) SLC6A4HTR1DHTR1BCHRM2DRD2
SCHEMBL17354274 0.84 SLC6A4 (0.48) SLC6A4CCR2CHRM1CHRM3ADRA1D
SCHEMBL17354261 0.84 SLC6A4 (0.42) SLC6A4HTR1DHTR1BCHRM2DRD2
SCHEMBL13889 0.84 SLC6A4 (0.42) SLC6A4HTR1DHTR1BCHRM2DRD2

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 SLC6A4 4116/4885HTR1D 4751/4885HTR1B 4536/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT SLC6A4 4116/4885HTR1D 4751/4885HTR1B 4536/4885

“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.