SCHEMBL4516368

SCHEMBL4516368

CCN1C(=O)OCC1Cc1ccc(Oc2ccc(N(C)c3ncccc3C#N)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.34
CTSL P07711 1/20 0.33
PFKFB3 Q16875 2/20 0.32
PFKFB2 O60825 1/20 0.32
PFKFB1 P16118 1/20 0.32
IDH1 O75874 3/20 0.31
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL4516372 1.00 P2RX3 (0.34) P2RX3CTSLPFKFB3PFKFB2PFKFB1
SCHEMBL4514235 0.91 CTSL (0.36) P2RX3CTSLIDH1
SCHEMBL4514233 0.91 CTSL (0.36) P2RX3CTSLIDH1
SCHEMBL13763254 0.90 CTSL (0.34) P2RX3CTSLIDH1
SCHEMBL4518034 0.90 HTR1D (0.35) P2RX3CTSLIDH1KDM4C
SCHEMBL4518032 0.90 HTR1D (0.35) P2RX3CTSLIDH1KDM4C
SCHEMBL13854964 0.88 P2RX3 (0.33) P2RX3PFKFB3PFKFB2PFKFB1
SCHEMBL4506959 0.85 NPC1 (0.35) IDH1KDM4C
SCHEMBL5346339 0.85 NPC1 (0.35) IDH1KDM4C
SCHEMBL13763493 0.83 CTSL (0.35) P2RX3CTSL

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 3 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
WO-2007029062-A2 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-15 WO claimed
US-20090203744-A1 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-08-13 US 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 P2RX3 161/4885CTSL 4355/4885PFKFB3 728/4885

“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.