SCHEMBL13744879

SCHEMBL13744879

CCCC1CCN(C2=NCCO2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.51
ADRA2B P18089 4/20 0.51
ADRA2C P18825 4/20 0.51
ADRA1A P35348 1/20 0.38
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL7624477 0.70 ADRA2A (0.72) ADRA2AADRA2BADRA2CADRA1ANOS3
SCHEMBL11742221 0.69 ADRA2A (0.69) ADRA2AADRA2BADRA2CADRA1AHRH3
SCHEMBL15011277 0.66 ADRA2A (0.64) ADRA2AADRA2BADRA2C
SCHEMBL28590188 0.65 HRH3 (0.33) NOS3NOS1NOS2HRH3
SCHEMBL27307000 0.65 KIF18A (0.41) PIK3CA
Fluoride SCHEMBL30330327 0.64 NCF1 (0.52) HRH3
SCHEMBL21101188 0.63 CHKA (0.50) HRH3
Fluoride SCHEMBL29252579 0.63 HRH3 (0.45) HRH3
SCHEMBL25515008 0.62 GPR119 (0.45) PIK3CA
SCHEMBL17712587 0.62 CHRM4 (0.46)

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-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 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-20090209511-A1 Benzofuran Derivatives F12, F2, F3 ADRA2A 2066/4885ADRA2B 1537/4885ADRA2C 2230/4885

“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.