SCHEMBL4579439

SCHEMBL4579439

OC[C@H]1CCCN(CC2CCCCC2)C1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 3/20 0.59
ADRA2C P18825 1/20 0.59
GBA1 P04062 2/20 0.47
ACHE P22303 1/20 0.47
CYP2D6 P10635 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
SIGMAR1 Q99720 2/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 1/20 0.38
HTT P42858 1/20 0.38
KDM2B Q8NHM5 2/20 0.38

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
SCHEMBL10509286 0.85 GBA1 (0.56) CHRM5ADRA2CGBA1ACHECYP2D6
SCHEMBL25147628 0.81 CYP2D6 (0.50) CHRM5ADRA2CGBA1CYP2D6SMN1; SMN2
SCHEMBL10508855 0.81 GBA1 (0.39) CHRM5ADRA2CGBA1ACHECYP2D6
SCHEMBL4580897 0.80 CHRM5 (0.59) CHRM5ADRA2CGBA1ACHESMN1; SMN2
SCHEMBL4579271 0.80 CHRM5 (0.59) CHRM5ADRA2CGBA1ACHESMN1; SMN2
SCHEMBL3156763 0.79 CHRM5 (0.64) CHRM5ADRA2CGBA1ACHESMN1; SMN2
SCHEMBL2934405 0.78 CYP2D6 (0.47) CHRM5ADRA2CGBA1CYP2D6SMN1; SMN2
SCHEMBL772309 0.78 CYP2D6 (0.47) CHRM5ADRA2CGBA1CYP2D6SMN1; SMN2
SCHEMBL645562 0.78 CYP2D6 (0.47) CYP2D6SMN1; SMN2MAPTHTT
SCHEMBL3431959 0.78 CYP2D6 (0.47) CHRM5ADRA2CGBA1CYP2D6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452908-B2 Amide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-11-18 US disclosed
US-6809108-B1 SELECTIVE MUSCARINIC M3 RECEPTOR ANTAGONTS; REDUCED SIDE EFFECTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-10-26 US disclosed
US-20040204369-A1 Novel amide derivatives MSD K.K. (JP) 2004-10-14 US disclosed
EP-1213281-B1 NOVEL AMIDE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-02-18 EP disclosed
EP-1213281-A1 NOVEL AMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-06-12 EP 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-20040204369-A1 Novel amide derivatives CHRM3, CHRM1, CHRM2 CHRM5 4/4885ADRA2C 42/4885GBA1 4151/4885

“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.