SCHEMBL1845475

SCHEMBL1845475

O=C(O)c1cccc2c1N(Cc1ccc(C(F)(F)F)cc1)C(=O)C2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.48
CHRM5 P08912 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CHRM3 P20309 1/20 0.44
PTGER4 P35408 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TRAP1 Q12931 1/20 0.44
HDAC11 Q96DB2 2/20 0.43
PARP1 P09874 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
MEN1 O00255 1/20 0.42
APAF1 O14727 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL27818029 0.87 FABP4 (0.46) FABP4CHRM5ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1843337 0.81 PARK7 (0.48) CHRM5ALDH1A1KDM4ECHRM3NPSR1
SCHEMBL1845282 0.81 PTGER4 (0.64) PTGER4
SCHEMBL27969265 0.78 PTGER4 (0.66) FABP4PTGER4HDAC11
SCHEMBL12549729 0.76 ALOX15 (0.40) ALDH1A1KDM4ESMN1; SMN2PARP1PARP2
SCHEMBL11478156 0.76 KMT2A (0.51) ALDH1A1KDM4EPARP1MEN1APAF1
SCHEMBL12572176 0.76 PTGER4 (0.50) PTGER4HDAC11
SCHEMBL31310166 0.75 DRD2 (0.44) ALDH1A1KDM4EPARP1MEN1APAF1
SCHEMBL3354461 0.70 SMN1; SMN2 (0.78) ALDH1A1KDM4ESMN1; SMN2MAPTKMT2A
Hydrochloric Acid SCHEMBL6920695 0.69 SMN1; SMN2 (0.76) ALDH1A1KDM4ESMN1; SMN2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320906-B1 HETEROCYCLIC AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS BETA PHARMA CANADA INC (CA) 2016-02-24 EP disclosed
EP-2320906-B1 HETEROCYCLIC AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS BETA PHARMA CANADA INC (CA) 2016-02-24 EP disclosed
CN-102149384-B Heterocyclic amide derivatives as EP4 receptor antagonists NANJING AOZHAO BIOLOG CO LTD 2014-08-20 CN disclosed
US-8404736-B2 Heterocyclic amide derivatives as EP4 receptor antagonists BETA PHARMA CANADA INC. (CA) 2013-03-26 US disclosed
US-8404736-B2 Heterocyclic amide derivatives as EP4 receptor antagonists BETA PHARMA CANADA INC. (CA) 2013-03-26 US disclosed
US-8404736-B2 Heterocyclic amide derivatives as EP4 receptor antagonists BETA PHARMA CANADA INC. (CA) 2013-03-26 US disclosed
CN-102149384-A Heterocyclic amide derivatives as EP4 receptor antagonists BETA PHARMA CANADA INC 2011-08-10 CN disclosed
US-20110136887-A1 Heterocyclic Amide Derivatives as EP4 Receptor Antagonists BETA PHARMA CANADA INC. (CA) 2011-06-09 US disclosed
US-20110136887-A1 Heterocyclic Amide Derivatives as EP4 Receptor Antagonists BETA PHARMA CANADA INC. (CA) 2011-06-09 US disclosed
US-20110136887-A1 Heterocyclic Amide Derivatives as EP4 Receptor Antagonists BETA PHARMA CANADA INC. (CA) 2011-06-09 US disclosed
EP-2320906-A1 HETEROCYCLIC AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Beta Pharma Canada Inc. (CA) 2011-05-18 EP disclosed
WO-2010019796-A1 HETEROCYCLIC AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS CHEMIETEK, LLC (US) 2010-02-18 WO disclosed
WO-2010019796-A1 HETEROCYCLIC AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS CHEMIETEK, LLC (US) 2010-02-18 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-20110136887-A1 Heterocyclic Amide Derivatives as EP4 Receptor Antagonists PTGER4, PTGER1, PTGER2 FABP4 306/4885CHRM5 1654/4885ALDH1A1 997/4885

“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.