SCHEMBL3217728

SCHEMBL3217728

C=CCOCC1CN2CCC1CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ CHRM2 P08172 4/20 0.36
▸ CHRM1 P11229 4/20 0.36
▸ CHRNA7 P36544 1/20 0.32
▸ CHRM3 P20309 3/20 0.32
▸ CHRNA4 P43681 2/20 0.32
▸ EGFR P00533 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ ADRA1A P35348 1/20 0.32

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
SCHEMBL9095986 0.76 CHRNA4 (0.37) CHRM2CHRM1CHRNA7CHRM3CHRNA4
SCHEMBL9095797 0.71 CHRM2 (0.54) CHRM2CHRM1CHRNA7CHRM3CHRNA4
SCHEMBL9097794 0.71 CHRNA4 (0.39) CHRM2CHRM1CHRNA7CHRM3CHRNA4
SCHEMBL3207097 0.70 CHRM2 (0.53) CHRM2CHRM1CHRNA7CHRM3CYP2D6
SCHEMBL3207101 0.70 CHRM2 (0.53) CHRM2CHRM1CHRNA7CHRM3CYP2D6
SCHEMBL2569523 0.69 ALDH1A1 (0.48) ALDH1A1
SCHEMBL22776221 0.68 CHRNA7 (0.42) ALDH1A1CHRM2CHRM1CHRNA7CHRM3
SCHEMBL12395706 0.67 CHRNA4 (0.36) ALDH1A1CHRM2CHRM1CHRNA7CHRM3
SCHEMBL9444111 0.66 CHRM1 (0.38) CHRM2CHRM1CHRM3CHRNA4CHRNB2
SCHEMBL2232344 0.65 ALDH1A1 (0.54) ALDH1A1POLBHTR2AHTR2B

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 ALDH1A1 1825/4885CHRM2 1/4885CHRM1 3/4885

“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.

Send feedback