SCHEMBL1846153

SCHEMBL1846153

O[C@](c1ccccc1)(c1cc(CCl)on1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
CHRM3 P20309 10/20 0.39
CYP19A1 P11511 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CHRM2 P08172 10/20 0.38
CHRM1 P11229 10/20 0.38
CHRM4 P08173 8/20 0.38
CHRM5 P08912 8/20 0.38
KCNH2 Q12809 4/20 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
SCHEMBL1846177 1.00 CYP2D6 (0.39) CYP2D6HRH1MEN1LMNASCN1A
SCHEMBL4728734 0.84 POLB (0.41) CYP2D6CHRM3CHRM2CHRM1CHRM4
SCHEMBL14291856 0.84 CHRM3 (0.39) CYP2D6HRH1MEN1LMNASCN1A
SCHEMBL1845152 0.80 CHRM2 (0.32) CYP2D6HRH1CHRM3CHRM2CHRM1
SCHEMBL1845153 0.80 CHRM2 (0.32) CYP2D6HRH1CHRM3CHRM2CHRM1
SCHEMBL4725504 0.76 HRH1 (0.39) CYP2D6HRH1CHRM3CHRM2CHRM1
SCHEMBL4779865 0.75 CHRM2 (0.36) CYP2D6HRH1CHRM3CYP19A1CHRM2
SCHEMBL4726237 0.75 KCNH2 (0.38) CYP2D6MEN1LMNAKMT2ACHRM3
SCHEMBL3210000 0.74 CHRM3 (0.43) CYP2D6HRH1MEN1LMNASCN1A
SCHEMBL4727245 0.74 CHRM2 (0.37) CYP2D6MEN1LMNAKMT2ACHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245293-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2011-10-06 US disclosed
US-20110245293-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2011-10-06 US disclosed
US-20110245293-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2011-10-06 US disclosed
US-20110245292-A1 2-HYDROXY-ETHANESULFONATE SALT ASTRAZENECA AB (SE) 2011-10-06 US disclosed
US-20110207770-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT ASTRAZENECA AB (SE) 2011-08-25 US disclosed
US-20110207770-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT ASTRAZENECA AB (SE) 2011-08-25 US disclosed
US-20110207770-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT ASTRAZENECA AB (SE) 2011-08-25 US disclosed
EP-2323653-A1 2-HYDROXY-ETHANESULFONATE SALT AstraZeneca AB (SE) 2011-05-25 EP disclosed
WO-2010019097-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT ASTRAZENECA AB (SE) 2010-02-18 WO disclosed
WO-2010018352-A1 HETEROCYCLIC COMPOUNDS USED IN THE TREATMENT OF DISEASES WHERE ENHANCED M3 RECEPTOR ACTIVATION IS IMPLICATED ARGENTA DISCOVERY LIMITED (GB) 2010-02-18 WO disclosed
WO-2010019099-A1 2-HYDROXY-ETHANESULFONATE SALT ASTRAZENECA AB (SE) 2010-02-18 WO disclosed
WO-2010019098-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2010-02-18 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 (3 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-20110245293-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ADRB2, ADRB1, ADRA2A CYP2D6 981/4885HRH1 58/4885MEN1 2642/4885
US-20110245292-A1 2-HYDROXY-ETHANESULFONATE SALT CHRM3, CHRM2, CHRM5 CYP2D6 1263/4885HRH1 111/4885MEN1 4303/4885
US-20110207770-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT GRK5, GRK2, GRK4 CYP2D6 1921/4885HRH1 296/4885MEN1 2953/4885

“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.