SCHEMBL3309137

SCHEMBL3309137

CC(C=O)(c1cccs1)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.44
CYP2B6 P20813 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.33
PRCP P42785 1/20 0.33
KMT2A Q03164 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4276964 0.74 CHRM3 (0.58) CHRM3CYP2B6ALDH1A1SMN1; SMN2GAA
SCHEMBL1072704 0.73 CYP2B6 (0.59) CHRM3CYP2B6GAAMEN1KMT2A
SCHEMBL11019030 0.71 CHRM3 (0.43) CHRM3CYP2B6ALDH1A1SMN1; SMN2GAA
SCHEMBL27300905 0.70 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL2126693 0.69 CHRM3 (0.61) CHRM3ALDH1A1SMN1; SMN2
SCHEMBL2574350 0.69 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2344856 0.69 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL3308712 0.68 CHRM3 (0.45) CHRM3ALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL28118249 0.67 CNR1 (0.38) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL27746719 0.67 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2ALMNAMAPT

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-20100113510-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-05-06 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-20100113510-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 CHRM3 3/4885CYP2B6 401/4885ALDH1A1 2364/4885

“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.