SCHEMBL13649188

SCHEMBL13649188

CC(=O)N1CCN(Cc2cccc(-c3cccc(C=O)c3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.55
CHRM3 P20309 1/20 0.53
FAAH O00519 3/20 0.52
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
CYP2D6 P10635 2/20 0.46
MGLL Q99685 1/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
KDR P35968 2/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
ATM Q13315 1/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL15652772 0.92 HRH3 (0.56) HRH3CHRM3FAAHALDH1A1HTT
SCHEMBL13649187 0.84 HRH3 (0.60) HRH3CHRM3FAAHALDH1A1HTT
SCHEMBL5177652 0.80 HRH3 (0.62) HRH3CHRM3FAAHALDH1A1CYP2D6
SCHEMBL15652992 0.78 HRH3 (0.71) HRH3FAAHALDH1A1HTTCYP2D6
SCHEMBL14852541 0.78 KDR (0.54) HRH3CHRM3FAAHKDRMEN1
SCHEMBL12660179 0.77 ALDH1A1 (0.72) HRH3CHRM3FAAHALDH1A1HTT
SCHEMBL19049378 0.77 HRH3 (0.60) HRH3CHRM3FAAHALDH1A1HTT
SCHEMBL6301408 0.76 HRH3 (0.59) HRH3CHRM3FAAHALDH1A1HTT
SCHEMBL13649189 0.76 KDM4E (0.66) HRH3FAAHALDH1A1HTTCYP2D6
SCHEMBL23304129 0.76 GLS (0.49) CHRM3FAAHALDH1A1HTTMGLL

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-20090253908-A1 NOVEL M3 MUSCARINIC ACETYLCHOINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED 2009-10-08 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-20090253908-A1 NOVEL M3 MUSCARINIC ACETYLCHOINE RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRNA3 HRH3 92/4885CHRM3 1/4885FAAH 1557/4885

“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.