SCHEMBL4522276

SCHEMBL4522276

CCN(c1ccc(Oc2ccc(CC3COC(=O)N3C)cc2)cc1)c1ncccc1C#N

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.35
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
P2RX3 P56373 1/20 0.32
IDH1 O75874 3/20 0.31
GRM2 Q14416 1/20 0.30

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
SCHEMBL4522278 1.00 CTSL (0.35) CTSLHTR1DHTR1BP2RX3IDH1
SCHEMBL4514233 0.91 CTSL (0.36) CTSLP2RX3IDH1
SCHEMBL4514235 0.91 CTSL (0.36) CTSLP2RX3IDH1
SCHEMBL13763361 0.90 CTSL (0.34) CTSLHTR1DHTR1BIDH1GRM2
SCHEMBL4518034 0.90 HTR1D (0.35) CTSLHTR1DHTR1BP2RX3IDH1
SCHEMBL4518032 0.90 HTR1D (0.35) CTSLHTR1DHTR1BP2RX3IDH1
SCHEMBL4521525 0.84 LTA4H (0.35) HTR1DHTR1BIDH1
SCHEMBL5331286 0.84 LTA4H (0.35) HTR1DHTR1BIDH1
SCHEMBL4236486 0.83 P2RX3 (0.33) CTSLP2RX3
SCHEMBL13757308 0.82 PPARG (0.37) HTR1DHTR1BIDH1

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 2 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

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 CTSL 4355/4885HTR1D 562/4885HTR1B 635/4885

“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.