SCHEMBL14757641

SCHEMBL14757641

CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(c1)cc(CN1CCC(NC)C1)n2C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.37
FAAH O00519 1/20 0.35
TOP1 P11387 1/20 0.34
PARP1 P09874 3/20 0.34
PARP2 Q9UGN5 3/20 0.34
DHODH Q02127 1/20 0.34
DDR1 Q08345 9/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL14757623 1.00 MCHR1 (0.37) MCHR1FAAHTOP1PARP1PARP2
Hydrochloric Acid SCHEMBL17597707 0.99 MCHR1 (0.37) MCHR1FAAHTOP1PARP1PARP2
SCHEMBL14741207 0.90 DHODH (0.43) MCHR1FAAHDHODH
SCHEMBL14741203 0.90 PIM1 (0.36) MCHR1FAAHDHODH
SCHEMBL14741206 0.90 DHODH (0.43) MCHR1FAAHDHODH
SCHEMBL16428863 0.89 PRKACA (0.39) MCHR1FAAHTOP1DHODHDDR1
SCHEMBL16428855 0.89 PRKACA (0.39) MCHR1FAAHTOP1DHODHDDR1
Hydrochloric Acid SCHEMBL17597421 0.88 PRKACA (0.39) MCHR1FAAHTOP1DHODHDDR1
SCHEMBL14745355 0.88 HDAC1 (0.35) DHODHDDR1
SCHEMBL14757620 0.86 MCHR1 (0.39) MCHR1FAAHDHODH

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 12 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
CN-103889224-A ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC 2014-06-25 CN 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 4028/4885TOP1 101/4885

“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.