SCHEMBL13925

SCHEMBL13925

N=C(N)NCCCCN1CCC(c2c[nH]c(NC(=O)Nc3ccccc3OC(F)(F)F)nc2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.39
P2RY1 P47900 3/20 0.38
KCNH2 Q12809 2/20 0.38
CCR3 P51677 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL14324 0.99 CCR2 (0.40) CCR2P2RY1KCNH2CCR3
SCHEMBL14009 0.98 CCR3 (0.40) CCR2P2RY1KCNH2CCR3CYP1A2
SCHEMBL14121 0.97 CCR2 (0.38) CCR2P2RY1KCNH2CCR3CYP1A2
SCHEMBL13670 0.95 KDM4E (0.40) CCR2P2RY1KCNH2CCR3CYP1A2
SCHEMBL13917 0.90 SLC6A4 (0.42) P2RY1KCNH2
SCHEMBL13757 0.89 SLC6A4 (0.44) P2RY1KCNH2
SCHEMBL14103 0.89 P2RY1 (0.41) P2RY1KCNH2CCR3
SCHEMBL17485863 0.87 P2RY1 (0.40) CCR2P2RY1KCNH2CCR3CYP1A2
SCHEMBL13981 0.87 SLC6A4 (0.40) P2RY1KCNH2
SCHEMBL13626 0.87 FAAH (0.41)

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 2598/4885P2RY1 3578/4885KCNH2 3637/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CCR2 2598/4885P2RY1 3578/4885KCNH2 3637/4885

“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.