SCHEMBL3217359

SCHEMBL3217359

c1ccc(C2CN3CCC2CC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 1.00
CHRM2 P08172 2/20 0.53
CHRM4 P08173 2/20 0.53
CHRM5 P08912 2/20 0.53
CHRM1 P11229 2/20 0.53
CHRM3 P20309 2/20 0.53
CHRNB4 P30926 2/20 0.50
CHRNA3 P32297 2/20 0.50
LMNA P02545 1/20 0.47

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
SCHEMBL873067 0.89 CHRNA7 (0.79) CHRNA7CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL8686664 0.87 CHRNA7 (0.77) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL8777870 0.84 CHRNA7 (0.72) CHRNA7CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL8688078 0.83 CHRNA7 (0.70) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL11300641 0.80 CHRNA7 (0.67) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL9431069 0.80 CHRNA7 (0.67) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL6628801 0.80 CHRNA7 (0.66) CHRNA7CHRNB4CHRNA3LMNA
SCHEMBL23763949 0.78 CHRNA7 (0.64) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL9677934 0.78 CHRNA7 (0.64) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL4689211 0.78 CHRNA7 (0.64) CHRNA7CHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261114-A1 COMPOUNDS USEFUL AS INHIBITORS OF CHOLINE KINASE VERTEX PHARMACEUTICALS INCORPORATED 2013-10-03 US disclosed
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
US-4292190-A ANTIFREEZES FOR COOLING SYSTEMS OF INTERNAL COMBUSTION ENGINES BASF WYANDOTTE CORPORATION (US) 1981-09-29 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 (2 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-20130261114-A1 COMPOUNDS USEFUL AS INHIBITORS OF CHOLINE KINASE CHKA, CHKB, PHKG1 CHRNA7 655/4885CHRM2 654/4885CHRM4 718/4885
US-20100056565-A1 Heterocyclic Derivatives as M3 Muscarinic Receptors CHRM2, CHRM3, CHRM1 CHRNA7 13/4885CHRM2 1/4885CHRM4 5/4885

“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.