SCHEMBL14744982

SCHEMBL14744982

CCc1c(-c2ccc3c(c2)cc(CN2CCC(N)CC2)n3C)[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BAZ2A Q9UIF9 1/20 0.37
FAAH O00519 1/20 0.34
MCHR1 Q99705 2/20 0.34
MAOA P21397 2/20 0.32
PRKACA P17612 3/20 0.32
PRKACG P22612 3/20 0.32
PRKACB P22694 3/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
TLR9 Q9NR96 3/20 0.30
TLR7 Q9NYK1 3/20 0.30
TLR8 Q9NR97 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TACR2 P21452 1/20 0.30
TACR3 P29371 1/20 0.30
OPRM1 P35372 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 SCHEMBL17597198 0.99 BAZ2A (0.36) BAZ2AFAAHMCHR1MAOAPRKACA
SCHEMBL14757656 0.95 PRKACA (0.38) BAZ2AFAAHMCHR1MAOAPRKACA
SCHEMBL16428952 0.95 PRKACA (0.38) BAZ2AFAAHMCHR1MAOAPRKACA
Hydrochloric Acid SCHEMBL17597383 0.94 PRKACA (0.37) BAZ2AFAAHMCHR1PRKACAPRKACG
SCHEMBL14744839 0.93 ALDH1A1 (0.38) FAAHMCHR1MAOAGAAALDH1A1
SCHEMBL14745093 0.92 ENPP2 (0.36) FAAHMCHR1MAOAGAAALDH1A1
Hydrochloric Acid SCHEMBL17597936 0.92 ALDH1A1 (0.37) FAAHMCHR1MAOAGAAALDH1A1
Hydrochloric Acid SCHEMBL17597604 0.92 ENPP2 (0.35) FAAHMCHR1MAOAGAAALDH1A1
SCHEMBL14740825 0.92 FAAH (0.33) FAAH
SCHEMBL14745341 0.91 DHODH (0.38) FAAHMCHR1MAOATLR9TLR7

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 BAZ2A 1339/4885FAAH 4028/4885MCHR1 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.