SCHEMBL3221893

SCHEMBL3221893

c1ccc(OC[C@@H]2CN3CCC2CC3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
DRD2 P14416 3/20 0.46
EGFR P00533 1/20 0.46
POLB P06746 1/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
MAPT P10636 1/20 0.46
CHRM1 P11229 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
CHRM3 P20309 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46

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
SCHEMBL3221853 1.00 CHRNB4 (0.46) CHRNB4CHRNA3CHRNA7DRD2EGFR
SCHEMBL3221856 1.00 CHRNB4 (0.46) CHRNB4CHRNA3CHRNA7DRD2EGFR
SCHEMBL7328652 0.94 LTA4H (0.46) CHRNB4CHRNA3CHRNA7DRD2EGFR
Hydrochloric Acid SCHEMBL7322738 0.93 LTA4H (0.45) CHRNB4CHRNA3DRD2EGFRPOLB
SCHEMBL7324506 0.88 LTA4H (0.49)
SCHEMBL7322367 0.88 RAB9A (0.48) CHRNB4CHRNA3CHRNA7MAPTSLC6A2
Hydrochloric Acid SCHEMBL7329408 0.87 LTA4H (0.48)
Hydrochloric Acid SCHEMBL7323046 0.87 NPC1 (0.47) CHRNB4CHRNA3CHRNA7SLC6A2CHRNA4
SCHEMBL3223136 0.84 DRD4 (0.47) DRD2HTR1AHTR2ASLC6A4DRD4
SCHEMBL3225728 0.82 SLC6A4 (0.43) CHRNB4CHRNA3CHRNA7CHRM2CHRM1

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 4 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-2009098453-A1 AZONIA BICYCLOALKANES AS M3 MUSCARINIC ACETYLCHOLIN RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2009-08-13 WO 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 CHRNB4 41/4885CHRNA3 10/4885CHRNA7 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.