SCHEMBL3227969

SCHEMBL3227969

OC(c1ccccc1)(c1ncc(CBr)s1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 11/20 0.41
CYP2D6 P10635 5/20 0.39
HRH1 P35367 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
SCN1A P35498 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
CYP19A1 P11511 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CHRM2 P08172 11/20 0.38
CHRM1 P11229 11/20 0.38
CHRM4 P08173 9/20 0.38
CHRM5 P08912 9/20 0.38
KCNH2 Q12809 3/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 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
SCHEMBL27795411 0.90 CHRM3 (0.40) CHRM3CYP2D6HRH1MEN1LMNA
SCHEMBL4742907 0.84 CHRM3 (0.41) CHRM3CYP2D6CHRM2CHRM1CHRM4
SCHEMBL14101035 0.82 ALDH1A1 (0.40) CHRM3CYP2D6HRH1MEN1LMNA
SCHEMBL3217762 0.82 CHRM3 (0.42) CHRM3CYP2D6HRH1MEN1LMNA
SCHEMBL14101197 0.80 ATM (0.43) CHRM3CYP2D6HRH1MEN1LMNA
SCHEMBL4739872 0.76 KCNH2 (0.39) CHRM3CYP2D6HRH1MEN1LMNA
SCHEMBL14101227 0.76 CHRM3 (0.40) CHRM3MEN1CHRM2CHRM1CHRM4
SCHEMBL4783504 0.76 LMNA (0.39) CHRM3CYP2D6HRH1MEN1LMNA
SCHEMBL4741476 0.75 KCNH2 (0.40) CHRM3CYP2D6HRH1MEN1LMNA
SCHEMBL3214438 0.74 CHRM3 (0.41) CHRM3CYP2D6HRH1MEN1LMNA

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 6 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
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.