SCHEMBL13933

SCHEMBL13933

Cc1ccc(OC(F)(F)F)cc1CCC(C)CN

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
GPR3 P46089 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
TACR1 P25103 3/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
MAOB P27338 1/20 0.34
AOC3 Q16853 1/20 0.34
PDE2A O00408 1/20 0.34
SLC7A5 Q01650 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL14853145 0.86 CHRM5 (0.39) CHRM5SLC6A4TAAR1GPR3FFAR4
SCHEMBL13776 0.85 KMT2A (0.38) CHRM5HRH4SLC6A4TAAR1GPR3
SCHEMBL14853291 0.85 TACR1 (0.36) HRH4SLC6A2SLC6A4SLC6A3GPR3
SCHEMBL13896 0.84 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3GPR3TACR1
SCHEMBL14853144 0.81 SLC6A2 (0.38) CHRM5HRH4SLC6A2SLC6A4SLC6A3
SCHEMBL18927013 0.79 CHRM5 (0.42) CHRM5HRH4SLC6A2SLC6A4SLC6A3
SCHEMBL14853412 0.77 CHRM5 (0.38) CHRM5HRH4SLC6A2SLC6A4SLC6A3
SCHEMBL17354500 0.76 SCN10A (0.38) CHRM5HRH4SLC6A2SLC6A4SLC6A3
Methane SCHEMBL23464567 0.75 PPARG (0.42) CHRM5HRH4GPR3FFAR4TACR1
SCHEMBL13824 0.75 SCN4A (0.44) HRH4GPR3FFAR4PPARGPPARD

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 CHRM5 4477/4885HRH4 3383/4885SLC6A2 3776/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CHRM5 4477/4885HRH4 3383/4885SLC6A2 3776/4885

“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.