SCHEMBL14757643

SCHEMBL14757643

CCc1c(-c2ccc3c(c2)cc(CN2CCCNCC2)n3C)[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.34
FAAH O00519 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
TLR9 Q9NR96 2/20 0.31
TLR7 Q9NYK1 2/20 0.31
TLR8 Q9NR97 1/20 0.31
HIF1A Q16665 1/20 0.31
ROCK1 Q13464 1/20 0.31
TACR2 P21452 1/20 0.31
TACR3 P29371 1/20 0.31
OPRM1 P35372 1/20 0.31
CXCR4 P61073 1/20 0.30
EZH2 Q15910 1/20 0.30
GAA P10253 1/20 0.30

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
Hydrochloric Acid SCHEMBL14740922 0.99 MCHR1 (0.33) MCHR1FAAHBAZ2ATLR9TLR7
SCHEMBL14745492 0.97 FAAH (0.35) MCHR1FAAHBAZ2ATACR2TACR3
SCHEMBL14744908 0.93 MCHR1 (0.38) MCHR1FAAHTLR9TLR7TLR8
SCHEMBL14741232 0.93 MCHR1 (0.36) MCHR1FAAHTLR9TLR7TLR8
SCHEMBL14746156 0.92 MCHR1 (0.37) MCHR1FAAHTLR9TLR7TLR8
Hydrochloric Acid SCHEMBL17597770 0.90 FAAH (0.33) FAAHBAZ2ATACR2TACR3OPRM1
SCHEMBL14744911 0.89 FAAH (0.35) MCHR1FAAHTLR9TLR7TLR8
SCHEMBL14745070 0.89 FAAH (0.38) MCHR1FAAHTLR9TLR7TLR8
Hydrochloric Acid SCHEMBL14745257 0.89 FAAH (0.35) MCHR1FAAHTLR9TLR7TLR8
Hydrochloric Acid SCHEMBL17597442 0.88 FAAH (0.37) MCHR1FAAHTLR9TLR7TLR8

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016039937-A1 BICYCLIC AND TRICYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO claimed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
WO-2016039937-A1 BICYCLIC AND TRICYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 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 (1 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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP MCHR1 4817/4885FAAH 4028/4885BAZ2A 1339/4885

“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.