SCHEMBL4523713

SCHEMBL4523713

CN1C(=O)OC[C@@H]1Cc1ccc(Oc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.44
HRH3 Q9Y5N1 1/20 0.38
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
P2RX3 P56373 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37

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
SCHEMBL4499595 0.90 KDR (0.38) LIPEHRH3
SCHEMBL4502936 0.89 LIPE (0.41) LIPEKCNH2SCN5ASCN9AP2RX3
SCHEMBL5334942 0.89 LIPE (0.41) LIPEKCNH2SCN5ASCN9AP2RX3
SCHEMBL13854944 0.88 LIPE (0.42) LIPEHRH3KCNH2SCN5ASCN9A
SCHEMBL4507577 0.83 RAB9A (0.52) HRH3CHRNB4CHRNA3
SCHEMBL4506585 0.82 PDE10A (0.42)
SCHEMBL4511519 0.82 PDE10A (0.42)
SCHEMBL4240879 0.81 LIPE (0.40) LIPEKCNH2SCN5ASCN9AP2RX3
SCHEMBL4508563 0.80 SCN9A (0.36) LIPEHRH3SCN9A
SCHEMBL4233527 0.79 KDR (0.40) LIPEHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203744-A1 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-08-13 US claimed
US-20090203744-A1 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-08-13 US disclosed
US-20090203744-A1 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-08-13 US disclosed
US-20090203744-A1 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-08-13 US disclosed
WO-2007029062-A2 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-15 WO disclosed
WO-2007029062-A2 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-15 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-20090203744-A1 NOVEL PYRIDINE DERIVATIVES CYP3A4, CYP4B1, CYP3A5 LIPE 4866/4885HRH3 1682/4885KCNH2 863/4885

“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.