SCHEMBL14139

SCHEMBL14139

N=C(N)NCCCCN1CCC(c2c[nH]c(NC(=O)Nc3cc(F)c(F)cc3F)nc2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.39
HTR1D P28221 7/20 0.36
HTR1B P28222 5/20 0.36
CHRM2 P08172 1/20 0.36
DRD2 P14416 1/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
HTR1F P30939 1/20 0.35

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
SCHEMBL14850251 0.99 CCR2 (0.40) CCR2HTR1DHTR1BCHRM2DRD2
SCHEMBL17354260 0.93 CCR2 (0.38) CCR2HTR1DHTR1BCHRM2DRD2
SCHEMBL14162 0.89 SLC6A4 (0.41) CCR2HTR1DHTR1BCHRM2DRD2
SCHEMBL13920 0.88 SLC6A4 (0.43) CCR2HTR1DHTR1BCHRM2DRD2
SCHEMBL13919 0.86 CCR2 (0.43) CCR2HTR1BDRD2FPR3FPR2
SCHEMBL14011 0.85 DRD2 (0.40) DRD2FPR3FPR2
SCHEMBL17354262 0.85 CCR2 (0.39) CCR2
SCHEMBL14146 0.85 CCR2 (0.44) CCR2HTR1BDRD2HTR1F
SCHEMBL13638 0.85 DRD2 (0.40) DRD2FPR3FPR2
SCHEMBL17354239 0.84 KMT2A (0.44) 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 5 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
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 2598/4885HTR1D 4751/4885HTR1B 4536/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CCR2 2598/4885HTR1D 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.