SCHEMBL13604

SCHEMBL13604

N[C@H]1CCN(CCc2c[nH]c(NC(=O)Nc3ccccc3OC(F)(F)F)nc2=O)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
CCR3 P51677 4/20 0.37
CXCR2 P25025 4/20 0.37
EPHX2 P34913 4/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2J2 P51589 3/20 0.36
P2RY1 P47900 3/20 0.35
KCNH2 Q12809 2/20 0.35
NTRK1 P04629 1/20 0.34
DDR1 Q08345 2/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34

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
SCHEMBL17354495 0.87 CHRM4 (0.38) CCR3CXCR2EPHX2CYP2C9CYP2J2
SCHEMBL14850218 0.87 CHRM4 (0.38) CCR3CXCR2EPHX2CYP2C9CYP2J2
SCHEMBL13689 0.86 CXCR2 (0.41) CCR3CXCR2EPHX2P2RY1KCNH2
SCHEMBL14850225 0.86 EPHX2 (0.37) DPP4CXCR2EPHX2CYP2C9CYP2J2
SCHEMBL14191 0.85 GAA (0.36) CCR3CXCR2EPHX2P2RY1NTRK1
SCHEMBL17354243 0.85 MAPT (0.40) CCR3EPHX2
SCHEMBL14850229 0.82 GAA (0.40) CCR3
SCHEMBL14850189 0.80 P2RY1 (0.41) CCR3CXCR2P2RY1
SCHEMBL13798 0.78 EPHX2 (0.37) CXCR2EPHX2CYP2C9CYP2J2P2RY1
SCHEMBL14103 0.78 P2RY1 (0.41) CCR3CXCR2EPHX2P2RY1KCNH2

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 DPP4 430/4885CCR3 1671/4885CXCR2 2105/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT DPP4 430/4885CCR3 1671/4885CXCR2 2105/4885

“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.