SCHEMBL13686552

SCHEMBL13686552

C=CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H](N)C2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 13/20 0.49
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL13686550 1.00 CHRM1 (0.49) CHRM1CHRM2CHRM3MAPTCACNA1B
SCHEMBL13853077 1.00 CHRM1 (0.49) CHRM1CHRM2CHRM3MAPTCACNA1B
SCHEMBL25200251 0.85 CHRM1 (0.50) CHRM1CHRM2CHRM3SIGMAR1LMNA
SCHEMBL13686549 0.80 CHRM1 (0.55) CHRM1CHRM2CHRM3ALDH1A1GAA
SCHEMBL1338719 0.80 CHRM1 (0.48) CHRM1CHRM2CHRM3GAACHRM4
SCHEMBL1116676 0.80 CHRM1 (0.48) CHRM1CHRM2CHRM3GAACHRM4
SCHEMBL1116674 0.80 CHRM1 (0.48) CHRM1CHRM2CHRM3GAACHRM4
SCHEMBL1574138 0.80 CHRM1 (0.48) CHRM1CHRM2CHRM3GAACHRM4
SCHEMBL31441864 0.79 CHRM1 (0.47) CHRM1MAPTCACNA1BAPBA1SIGMAR1
SCHEMBL13686569 0.79 CHRM1 (0.51) CHRM1ALDH1A1GAACHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891064-B1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS ALMIRALL SA (ES) 2009-09-02 EP disclosed
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-05-21 US disclosed
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-05-21 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-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists CCR1, CCR3, CCR8 CHRM1 394/4885CHRM2 420/4885CHRM3 127/4885

“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.