SCHEMBL3216566

SCHEMBL3216566

Cc1ccc(CO[C@H]2CN3CCC2CC3)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CHRNA7 P36544 2/20 0.49
CHRM2 P08172 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 2/20 0.47
TACR1 P25103 2/20 0.46
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
NAAA Q02083 1/20 0.43
ALDH1A1 P00352 2/20 0.42
DRD4 P21917 2/20 0.41
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
NTMT1 Q9BV86 1/20 0.39

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
SCHEMBL3216580 1.00 CYP1A2 (0.54) CYP1A2CYP2D6CHRNA7CHRM2CHRM1
SCHEMBL3210424 0.84 GLA (0.54) CHRNA7CHRM2CHRM1CHRM3TACR1
SCHEMBL3219330 0.84 MEN1 (0.51) CHRNA7CHRM2CHRM1CHRM3TACR1
SCHEMBL3210416 0.84 GLA (0.54) CHRNA7CHRM2CHRM1CHRM3TACR1
SCHEMBL8988424 0.84 CHRNA7 (0.51) CYP2D6CHRNA7CHRM2CHRM1CHRM3
SCHEMBL3219324 0.84 MEN1 (0.51) CHRNA7CHRM2CHRM1CHRM3TACR1
SCHEMBL3218557 0.84 CHRNA7 (0.58) CYP2D6CHRNA7CHRM2CHRM1CHRM3
SCHEMBL3206387 0.84 CHRNA7 (0.58) CYP2D6CHRNA7CHRM2CHRM1CHRM3
SCHEMBL3222951 0.84 CHRNA7 (0.58) CYP2D6CHRNA7CHRM2CHRM1CHRM3
SCHEMBL8988264 0.83 CHRNA7 (0.50) CYP2D6CHRNA7CHRM2CHRM1CHRM3

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
US-20100056565-A1 Heterocyclic Derivatives as M3 Muscarinic Receptors ARGENTA DISCOVERY LIMITED (GB) 2010-03-04 US disclosed
EP-2121688-A1 HETEROCYCLIC DERIVATIVES AS M3 MUSCARINIC RECEPTORS Argenta Discovery Ltd (GB) 2009-11-25 EP disclosed
WO-2008099186-A1 HETEROCYCLIC DERIVATIVES AS M3 MUSCARINIC RECEPTORS ARGENTA DISCOVERY LIMITED (GB) 2008-08-21 WO 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-20100056565-A1 Heterocyclic Derivatives as M3 Muscarinic Receptors CHRM2, CHRM3, CHRM1 CYP1A2 603/4885CYP2D6 616/4885CHRNA7 13/4885

“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.