SCHEMBL9900855

SCHEMBL9900855

Cc1cccc(OC2CCN(c3ncc(Cl)cc3C(=O)O)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.45
LIPG Q9Y5X9 1/20 0.45
HRH1 P35367 1/20 0.44
CCR3 P51677 1/20 0.44
KCNH2 Q12809 1/20 0.44
ACACB O00763 8/20 0.43
OPRK1 P41145 5/20 0.42
EPHX2 P34913 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
PDE10A Q9Y233 1/20 0.42
MGLL Q99685 1/20 0.41
CNR2 P34972 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
SCHEMBL9901498 0.90 OPRK1 (0.55) ACACBOPRK1
SCHEMBL9900833 0.90 LIPG (0.49) LPLLIPGHRH1CCR3KCNH2
SCHEMBL9900869 0.88 LIPG (0.47) LPLLIPGHRH1CCR3KCNH2
SCHEMBL9900306 0.85 LIPG (0.58) LPLLIPGACACBEPHX2
SCHEMBL9900829 0.84 PTGER4 (0.39) ACACBOPRK1
SCHEMBL9901070 0.82 LIPG (0.57) LPLLIPGHRH1CCR3KCNH2
SCHEMBL9900489 0.82 OPRK1 (0.59) ACACBOPRK1
SCHEMBL9900588 0.81 ACACB (0.43) LPLLIPGHRH1CCR3KCNH2
SCHEMBL15294746 0.81 SCN9A (0.44) LPLLIPGHRH1CCR3KCNH2
SCHEMBL9923385 0.80 LIPG (0.64) LPLLIPGACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649061-B1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm Biotech Srl (IT) 2015-05-13 EP disclosed
EP-2649061-B1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm Biotech Srl (IT) 2015-05-13 EP disclosed
US-20140364629-A1 MICROBIAL PRODUCTION OF 3,4-DIHYDROXYBUTYRATE (3,4-DHBA), 2,3- DIHYDROXYBUTYRATE (2,3-DHBA) AND 3-HYDROXYBUTYROLACTONE (3-HBL) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-12-11 US disclosed
US-8828987-B2 Pyridine amide derivatives as EP4 receptor antagonists ROTTAPHARM BIOTECH S.R.L. (IT) 2014-09-09 US disclosed
US-8828987-B2 Pyridine amide derivatives as EP4 receptor antagonists ROTTAPHARM BIOTECH S.R.L. (IT) 2014-09-09 US disclosed
US-8828987-B2 Pyridine amide derivatives as EP4 receptor antagonists ROTTAPHARM BIOTECH S.R.L. (IT) 2014-09-09 US disclosed
EP-2649061-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm S.p.A. (IT) 2013-10-16 EP disclosed
US-20130261100-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM BIOTECH S.R.L. (IT) 2013-10-03 US disclosed
US-20130261100-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM BIOTECH S.R.L. (IT) 2013-10-03 US disclosed
US-20130261100-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM BIOTECH S.R.L. (IT) 2013-10-03 US disclosed
WO-2012076063-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM S.P.A. (IT) 2012-06-14 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 (2 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-20140364629-A1 MICROBIAL PRODUCTION OF 3,4-DIHYDROXYBUTYRATE (3,4-DHBA), 2,3- DIHYDROXYBUTYRATE (2,3-DHBA) AND 3-HYDROXYBUTYROLACTONE (3-HBL) HSD17B10, HBB, HADHB LPL 1071/4885LIPG 1868/4885HRH1 1875/4885
US-20130261100-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER1, CNR1 LPL 4636/4885LIPG 4136/4885HRH1 94/4885

“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.