SCHEMBL14009

SCHEMBL14009

N=C(N)NCCCN1CCC(c2c[nH]c(NC(=O)Nc3ccccc3OC(F)(F)F)nc2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RY1 P47900 3/20 0.39
KCNH2 Q12809 2/20 0.39
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CCR2 P41597 5/20 0.37
GAA P10253 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
SCHEMBL13925 0.98 CCR2 (0.39) CCR3CYP1A2CYP2D6SMN1; SMN2P2RY1
SCHEMBL13670 0.97 KDM4E (0.40) CCR3CYP1A2CYP2D6SMN1; SMN2P2RY1
SCHEMBL14324 0.97 CCR2 (0.40) CCR3P2RY1KCNH2CCR2
SCHEMBL14121 0.95 CCR2 (0.38) CCR3CYP1A2CYP2D6SMN1; SMN2P2RY1
SCHEMBL14103 0.90 P2RY1 (0.41) CCR3P2RY1KCNH2
SCHEMBL17485863 0.89 P2RY1 (0.40) CCR3CYP1A2CYP2D6SMN1; SMN2P2RY1
SCHEMBL13917 0.89 SLC6A4 (0.42) P2RY1KCNH2
SCHEMBL13757 0.88 SLC6A4 (0.44) P2RY1KCNH2
SCHEMBL14017 0.87 P2RY1 (0.39) P2RY1KCNH2
SCHEMBL14850229 0.87 GAA (0.40) CCR3CYP1A2CYP2D6SMN1; SMN2ALDH1A1

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-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 (1 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 CCR3 1671/4885CYP1A2 1366/4885CYP2D6 993/4885

“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.