SCHEMBL14015

SCHEMBL14015

Cc1ccc(F)cc1OCCCN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
TSHR P16473 2/20 0.42
HTR1B P28222 1/20 0.42
SLC6A4 P31645 8/20 0.39
SLC6A2 P23975 7/20 0.39
SLC6A3 Q01959 7/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.38
HTR2B P41595 3/20 0.38
TTR P02766 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C8 P10632 1/20 0.38
CHRM1 P11229 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADRA1A P35348 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL3080508 0.83 HTR1B (0.46) HTR1BTDP1L3MBTL1KDM4EHTR2B
SCHEMBL13069271 0.81 FFAR1 (0.47) FFAR1FFAR4TSHRSLC6A4LMNA
SCHEMBL13697 0.81 TSHR (0.62) TSHRLMNATDP1L3MBTL1KDM4E
SCHEMBL9462246 0.81 L3MBTL1 (0.53) FFAR1FFAR4SLC6A4SLC6A2SLC6A3
SCHEMBL20124948 0.80 FFAR1 (0.49) FFAR1FFAR4TSHRSLC6A4LMNA
SCHEMBL25974302 0.80 FFAR1 (0.46) FFAR1FFAR4TSHRSLC6A4LMNA
SCHEMBL20224818 0.80 FFAR1 (0.46) FFAR1FFAR4TSHRSLC6A4LMNA
SCHEMBL7528742 0.79 HTR1B (0.46) HTR1BTDP1L3MBTL1KDM4EHTR2B
SCHEMBL14853435 0.79 ALDH1A1 (0.46) TSHRHTR1BSLC6A4LMNAKDM4E
SCHEMBL3105565 0.79 FFAR1 (0.44) FFAR1FFAR4HTR1BTDP1L3MBTL1

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 FFAR1 4404/4885FFAR4 4452/4885TSHR 4385/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT FFAR1 4404/4885FFAR4 4452/4885TSHR 4385/4885

“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.