SCHEMBL3216281

SCHEMBL3216281

O[C@](c1ccccc1)(c1ncc(CBr)o1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.41
CHRM2 P08172 12/20 0.40
CHRM1 P11229 12/20 0.40
CHRM4 P08173 11/20 0.40
CHRM5 P08912 11/20 0.40
CYP2D6 P10635 4/20 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
KCNH2 Q12809 2/20 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
SCHEMBL3206180 1.00 CHRM3 (0.41) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1109824 1.00 CHRM3 (0.41) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL3214438 1.00 CHRM3 (0.41) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL3215163 0.99 CYP2D6 (0.40) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1109855 0.99 CYP2D6 (0.40) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL3211453 0.96 CYP2D6 (0.40) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL27736539 0.90 CHRM3 (0.40) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL27774376 0.90 CHRM3 (0.40) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL27795281 0.90 CHRM3 (0.40) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL28785218 0.89 HRH1 (0.38) CHRM3CHRM2CHRM1CHRM4CHRM5

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 8 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
WO-2010015792-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA-2 RECEPTORS ARGENTA DISCOVERY LIMITED (GB) 2010-02-11 WO 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
WO-2008096129-A1 NITROGEN CONTAINING HETROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA- 2 RECEPTORS ARGENTA DISCOVERY LTD (GB) 2008-08-14 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 2/4885CHRM2 1/4885CHRM1 3/4885

“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.