SCHEMBL13896

SCHEMBL13896

CC(CN)CCc1cc(OC(F)(F)F)ccc1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
EPHX1 P07099 1/20 0.34
TACR1 P25103 4/20 0.33
PDE2A O00408 1/20 0.33
MAOB P27338 1/20 0.33
AOC3 Q16853 1/20 0.33
SLC7A5 Q01650 2/20 0.32
GPR3 P46089 1/20 0.32
SCN10A Q9Y5Y9 4/20 0.32
PRMT6 Q96LA8 1/20 0.32

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
SCHEMBL14850383 0.88 PDE2A (0.36) SLC6A2SLC6A4SLC6A3EPHX1TACR1
SCHEMBL14850089 0.87 MAOB (0.35) SLC6A4EPHX1TACR1PDE2AMAOB
SCHEMBL14850086 0.86 MAOB (0.35) SLC6A4EPHX1MAOBAOC3SLC7A5
SCHEMBL13933 0.84 CHRM5 (0.36) SLC6A2SLC6A4SLC6A3TACR1PDE2A
SCHEMBL14853291 0.83 TACR1 (0.36) SLC6A2SLC6A4SLC6A3EPHX1TACR1
SCHEMBL14850088 0.82 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3EPHX1TACR1
SCHEMBL14850382 0.81 GPR3 (0.35) SLC6A2SLC6A4SLC6A3EPHX1TACR1
SCHEMBL14850374 0.80 GLS (0.34) TACR1PDE2AGPR3
SCHEMBL14850386 0.80 GAA (0.36) PDE2AGPR3
SCHEMBL13654 0.78 SCN10A (0.34) SLC6A2SLC6A4SLC6A3MAOBAOC3

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 6 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-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 SLC6A2 3776/4885SLC6A4 4116/4885SLC6A3 3237/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT SLC6A2 3776/4885SLC6A4 4116/4885SLC6A3 3237/4885

“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.