SCHEMBL4235488

SCHEMBL4235488

[C]1CC2CCCc3cccc1c32

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3B O95264 1/20 0.35
ADRA2A P08913 1/20 0.35
KCNE1 P15382 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR3A P46098 1/20 0.35
KCNQ1 P51787 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35

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
SCHEMBL3897137 0.84 HTR3B (0.34) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL6325387 0.84 HTR3B (0.34) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL829452 0.76 TSHR (0.43) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL1383226 0.75 HTR3B (0.35) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL30739530 0.72 TSHR (0.40)
SCHEMBL718791 0.72 TSHR (0.40)
SCHEMBL829845 0.70 TSHR (0.48) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL18937552 0.67 OPRM1 (0.43)
SCHEMBL1766019 0.65
SCHEMBL1385407 0.64 HTR3B (0.37) HTR3BADRA2AKCNE1ADRA2CCHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2096104-A1 Organic diamines as mGluR7 modulators Novartis AG (CH) 2009-09-02 EP claimed
US-20080242698-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US claimed
EP-2096104-A1 Organic diamines as mGluR7 modulators Novartis AG (CH) 2009-09-02 EP disclosed
US-20080242698-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 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-20080242698-A1 Organic Compounds AOC1, OTC, ODC1 HTR3B 3322/4885ADRA2A 1990/4885KCNE1 1989/4885

“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.