SCHEMBL14745492

SCHEMBL14745492

CCc1c(-c2ccc3c(c2)cc(CN2CCNCC2)n3C)[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.35
BAZ2A Q9UIF9 2/20 0.34
MCHR1 Q99705 2/20 0.32
TACR2 P21452 1/20 0.32
TACR3 P29371 1/20 0.32
OPRM1 P35372 1/20 0.32
GAA P10253 1/20 0.32
KDM5C P41229 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
TNKS O95271 1/20 0.31
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
PDGFRB P09619 1/20 0.30
KDR P35968 1/20 0.30
CHRM3 P20309 1/20 0.30
HDAC1 Q13547 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
SCHEMBL14757643 0.97 MCHR1 (0.34) FAAHBAZ2AMCHR1TACR2TACR3
Hydrochloric Acid SCHEMBL14740922 0.96 MCHR1 (0.33) FAAHBAZ2AMCHR1TACR2TACR3
Hydrochloric Acid SCHEMBL17597770 0.93 FAAH (0.33) FAAHBAZ2ATACR2TACR3OPRM1
SCHEMBL14744908 0.93 MCHR1 (0.38) FAAHMCHR1GAA
SCHEMBL14741232 0.93 MCHR1 (0.36) FAAHMCHR1GAA
SCHEMBL14746156 0.92 MCHR1 (0.37) FAAHMCHR1GAA
SCHEMBL14745070 0.92 FAAH (0.38) FAAHMCHR1GAATNKS
Hydrochloric Acid SCHEMBL17597442 0.91 FAAH (0.37) FAAHMCHR1GAATNKS
SCHEMBL14744839 0.90 ALDH1A1 (0.38) FAAHMCHR1GAAHDAC1
SCHEMBL14744913 0.90 MAOA (0.38) FAAHBAZ2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US claimed
WO-2016039937-A1 BICYCLIC AND TRICYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO claimed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US claimed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP claimed
CN-103889224-A ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC 2014-06-25 CN claimed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 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
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO 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 FAAH 4028/4885BAZ2A 1339/4885MCHR1 4817/4885

“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.