SCHEMBL13782

SCHEMBL13782

Cc1cc(C(F)(F)F)ccc1CCCCN

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.48
TAAR1 Q96RJ0 3/20 0.43
IDO1 P14902 2/20 0.42
MAOB P27338 2/20 0.39
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
MPO P05164 1/20 0.36
SLC7A5 Q01650 3/20 0.35

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
SCHEMBL4616378 0.87 TAAR1 (0.52) DAOTAAR1IDO1MAOBRXRA
SCHEMBL23891924 0.84 IDO1 (0.56) DAOTAAR1IDO1MAOBMPO
SCHEMBL14850100 0.82 TAAR1 (0.40) DAOTAAR1IDO1MAOBSLC7A5
SCHEMBL12226958 0.81 DAO (0.49) DAOIDO1RXRARXRBRXRG
SCHEMBL1972143 0.80 DAO (0.46) DAOTAAR1IDO1MAOBRXRA
SCHEMBL5221736 0.79 TAAR1 (0.43) TAAR1IDO1MAOBMPOSLC7A5
SCHEMBL16950937 0.78 DAO (0.53) DAOIDO1RXRARXRBRXRG
SCHEMBL8910791 0.78 TAAR1 (0.52) TAAR1
Hydrochloric Acid SCHEMBL966617 0.78 IDO1 (0.47) DAOTAAR1IDO1MAOBRXRA
SCHEMBL14853480 0.78 SLC7A5 (0.41) MAOBSLC7A5

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 DAO 143/4885TAAR1 4463/4885IDO1 1215/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT DAO 143/4885TAAR1 4463/4885IDO1 1215/4885

“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.