SCHEMBL4579271

SCHEMBL4579271

NCC1CCCN(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
ACHE P22303 1/20 0.47
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM1 P11229 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
GBA1 P04062 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL4580897 1.00 CHRM5 (0.59) CHRM5ADRA2CACHECHRM2CHRM4
Hydrochloric Acid SCHEMBL5793575 0.92 CHRM5 (0.48) CHRM5ADRA2CACHE
SCHEMBL22038541 0.86 CHRM5 (0.45) CHRM5ADRA2CACHESMN1; SMN2OPRM1
SCHEMBL10723699 0.81 NCF1 (0.43) CHRM5ADRA2CACHESIGMAR1
SCHEMBL4579439 0.80 CHRM5 (0.59) CHRM5ADRA2CACHECHRM2CHRM4
SCHEMBL4218768 0.80 CHRM5 (0.59) CHRM5ADRA2CACHECHRM2CHRM4
SCHEMBL29117299 0.80 CHRM5 (0.59) CHRM5ADRA2CACHECHRM2CHRM4
SCHEMBL2444587 0.79 NCF1 (0.37) CHRM5ADRA2CKDM4E
SCHEMBL7402141 0.79 CHRM5 (0.64) CHRM5ADRA2CACHECHRM2CHRM4
Hydrochloric Acid SCHEMBL4219190 0.78 CHRM5 (0.57) CHRM5ADRA2CACHECHRM2CHRM4

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 42/4885ACHE 1363/4885

“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.