SCHEMBL13776

SCHEMBL13776

Cc1ccc(OC(F)(F)F)cc1CCC(O)CN

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 1/20 0.36
AOC3 Q16853 1/20 0.36
CHRM5 P08912 1/20 0.36
GRIN2B Q13224 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
GPR3 P46089 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
SLC6A4 P31645 1/20 0.33
CASR P41180 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
SLC7A5 Q01650 2/20 0.33
CETP P11597 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 0.88 CHRM5 (0.39) MAOBAOC3CHRM5GRIN2BTAAR1
SCHEMBL13933 0.85 CHRM5 (0.36) MAOBAOC3CHRM5GRIN2BTAAR1
SCHEMBL14850086 0.84 MAOB (0.35) KMT2ASMN1; SMN2MAOBAOC3SLC6A4
SCHEMBL18927013 0.78 CHRM5 (0.42) SMN1; SMN2MAOBAOC3CHRM5GRIN2B
SCHEMBL14853144 0.77 SLC6A2 (0.38) CHRM5GPR3FFAR4PPARGPPARD
SCHEMBL14853412 0.76 CHRM5 (0.38) SMN1; SMN2MAOBAOC3CHRM5GRIN2B
SCHEMBL14025 0.76 FFAR4 (0.39) KMT2AMAOBAOC3CHRM5FFAR4
SCHEMBL13651 0.76 ALOX15 (0.56) KMT2ASMN1; SMN2MAOBAOC3FFAR4
SCHEMBL17354500 0.75 SCN10A (0.38) SMN1; SMN2MAOBAOC3CHRM5GRIN2B
SCHEMBL16951952 0.75 CHRM5 (0.42) MAOBAOC3CHRM5GRIN2BGPR3

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 KMT2A 4518/4885SMN1; SMN2 3979/4885MAOB 864/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT KMT2A 4518/4885SMN1; SMN2 3979/4885MAOB 864/4885

“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.