SCHEMBL3217847

SCHEMBL3217847

C(\Cc1ccccc1)=C1/CN2CCC1CC2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.58
CHRNA4 P43681 5/20 0.58
CHRNA3 P32297 4/20 0.58
CHRNB4 P30926 2/20 0.58
CHRNA7 P36544 2/20 0.58
MRGPRX1 Q96LB2 1/20 0.47
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
SIGMAR1 Q99720 1/20 0.36
MAOB P27338 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
SCHEMBL3206683 1.00 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL10916062 1.00 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL10913507 0.98 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL10913504 0.98 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL10914908 0.84 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL10914911 0.84 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL10916010 0.84 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL10916008 0.84 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Bromide SCHEMBL10915030 0.83 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
Hydrochloric Acid SCHEMBL10914376 0.83 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7

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 CHRNB2 38/4885CHRNA4 16/4885CHRNA3 10/4885

“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.