SCHEMBL4518032

SCHEMBL4518032

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.35
HTR1B P28222 2/20 0.35
CTSL P07711 1/20 0.33
IDH1 O75874 7/20 0.32
P2RX3 P56373 3/20 0.32
KDM4C Q9H3R0 1/20 0.31
GRM2 Q14416 1/20 0.31
FAAH O00519 1/20 0.30
P2RX7 Q99572 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 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
SCHEMBL4518034 1.00 HTR1D (0.35) HTR1DHTR1BCTSLIDH1P2RX3
SCHEMBL13763255 0.90 CTSL (0.34) HTR1DHTR1BCTSLIDH1GRM2
SCHEMBL4522276 0.90 CTSL (0.35) HTR1DHTR1BCTSLIDH1P2RX3
SCHEMBL4522278 0.90 CTSL (0.35) HTR1DHTR1BCTSLIDH1P2RX3
SCHEMBL4516372 0.90 P2RX3 (0.34) CTSLIDH1P2RX3KDM4C
SCHEMBL4516368 0.90 P2RX3 (0.34) CTSLIDH1P2RX3KDM4C
SCHEMBL4230119 0.88 GRM5 (0.33) CTSLP2RX3KDM4C
SCHEMBL4515171 0.83 LTA4H (0.36) HTR1DHTR1BIDH1KDM4CFAAH
SCHEMBL13763361 0.82 CTSL (0.34) HTR1DHTR1BCTSLIDH1GRM2
SCHEMBL4508746 0.82 KDM4C (0.41) HTR1DHTR1BIDH1KDM4CFAAH

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
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

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

“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.