SCHEMBL3210000

SCHEMBL3210000

OC(c1ccccc1)(c1noc(CCl)n1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 9/20 0.43
CYP2D6 P10635 5/20 0.42
HRH1 P35367 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
SCN1A P35498 1/20 0.42
KMT2A Q03164 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP19A1 P11511 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CHRM2 P08172 9/20 0.38
CHRM1 P11229 9/20 0.38
CHRM4 P08173 7/20 0.38
CHRM5 P08912 7/20 0.38
KCNH2 Q12809 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL4740717 0.84 CHRM3 (0.43) CHRM3CYP2D6HRH1MEN1LMNA
SCHEMBL4727371 0.84 CHRM3 (0.43) CHRM3CYP2D6RAB9AALDH1A1CHRM2
SCHEMBL3230261 0.80 RAB9A (0.35) CHRM3CYP2D6HRH1MEN1LMNA
SCHEMBL3230254 0.80 RAB9A (0.35) CHRM3CYP2D6HRH1MEN1LMNA
SCHEMBL3223141 0.78 SLC6A2 (0.36) CHRM3CYP2D6LMNAKMT2ARAB9A
SCHEMBL4725321 0.76 HRH1 (0.39) CHRM3CYP2D6HRH1CHRM2CHRM1
SCHEMBL1851798 0.75 CHRM3 (0.40) CHRM3CYP2D6HRH1MEN1LMNA
SCHEMBL1851800 0.75 CHRM3 (0.40) CHRM3CYP2D6HRH1MEN1LMNA
SCHEMBL4779634 0.75 CHRM3 (0.39) CHRM3CYP2D6HRH1MEN1LMNA
SCHEMBL4727012 0.75 CHRM3 (0.41) CHRM3CYP2D6CHRM2CHRM1CHRM4

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 7 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
US-20100056565-A1 Heterocyclic Derivatives as M3 Muscarinic Receptors ARGENTA DISCOVERY LIMITED (GB) 2010-03-04 US disclosed
US-20100056565-A1 Heterocyclic Derivatives as M3 Muscarinic Receptors ARGENTA DISCOVERY LIMITED (GB) 2010-03-04 US disclosed
CN-101657452-A Hete rocyclic derivatives as the M3 muscarinic receptor ARGENTA DISCOVERY LTD GB 2010-02-24 CN 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
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 CHRM3 2/4885CYP2D6 616/4885HRH1 109/4885

“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.