SCHEMBL12124992

SCHEMBL12124992

CCC[C@@H](C)N(CC)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.58
SIGMAR1 Q99720 1/20 0.46
ADRA2B P18089 3/20 0.46
HTR2A P28223 3/20 0.46
KCNH2 Q12809 3/20 0.46
ADRA2C P18825 2/20 0.46
SLC6A2 P23975 2/20 0.46
ADRA1A P35348 2/20 0.46
SLC6A3 Q01959 2/20 0.46
SLC6A4 P31645 1/20 0.46
OPRK1 P41145 1/20 0.46
TSHR P16473 5/20 0.44
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ADRA2A P08913 2/20 0.42
HRH1 P35367 2/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
SLC22A3 O75751 1/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL21431254 1.00 BCHE (0.58) BCHESIGMAR1ADRA2BHTR2AKCNH2
SCHEMBL12126093 1.00 BCHE (0.58) BCHESIGMAR1ADRA2BHTR2AKCNH2
SCHEMBL18079510 0.92 BCHE (0.51) BCHESIGMAR1ADRA2BHTR2AKCNH2
SCHEMBL20012414 0.86 BCHE (0.56) BCHESIGMAR1ADRA2BHTR2AKCNH2
SCHEMBL12126080 0.85 BCHE (0.54) BCHESIGMAR1ADRA2BHTR2AKCNH2
SCHEMBL9816880 0.81 BCHE (0.51) BCHESIGMAR1ADRA2BHTR2AKCNH2
SCHEMBL9816888 0.81 BCHE (0.51) BCHESIGMAR1ADRA2BHTR2AKCNH2
SCHEMBL19472433 0.81 BCHE (0.51) BCHESIGMAR1ADRA2BHTR2AKCNH2
SCHEMBL9816864 0.81 BCHE (0.51) BCHESIGMAR1ADRA2BHTR2AKCNH2
SCHEMBL19046875 0.81 BCHE (0.51) BCHESIGMAR1ADRA2BHTR2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 BCHE 3774/4885SIGMAR1 684/4885ADRA2B 95/4885

“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.