SCHEMBL4172196

SCHEMBL4172196

C1CCN(C[C@@H]2CC[N]C2)C1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.52
ADRA2C P18825 1/20 0.52
ACHE P22303 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
CASP1 P29466 1/20 0.33
CASP4 P49662 1/20 0.33
CASP5 P51878 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL4172195 1.00 CHRM5 (0.52) CHRM5ADRA2CACHESMN1; SMN2CASP1
SCHEMBL4184118 0.89 CHRM5 (0.56) CHRM5ADRA2CACHESMN1; SMN2CASP1
SCHEMBL4184117 0.89 CHRM5 (0.56) CHRM5ADRA2CACHESMN1; SMN2CASP1
SCHEMBL4239136 0.88 CHRM5 (0.59) CHRM5ADRA2CACHESMN1; SMN2CASP1
SCHEMBL2249609 0.86 CHRM5 (0.62) CHRM5ADRA2CACHESMN1; SMN2CASP1
SCHEMBL41997 0.84 CHRM5 (0.67) CHRM5ADRA2CACHESMN1; SMN2CASP1
SCHEMBL3557098 0.81 CHRM5 (0.54) CHRM5ADRA2CACHESMN1; SMN2CASP1
SCHEMBL2252156 0.77
SCHEMBL3554561 0.75 ALDH1A1 (0.40) CHRM5ADRA2CACHE
SCHEMBL2225393 0.73

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-20090227601-A1 Bradykinin 1 Receptor Antagonists AMGEN INC. (US) 2009-09-10 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-20090227601-A1 Bradykinin 1 Receptor Antagonists BDKRB1, BDKRB2, VIPR1 CHRM5 775/4885ADRA2C 179/4885ACHE 1920/4885

“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.