SCHEMBL1845153

SCHEMBL1845153

C[Si](C)(C)OC(c1ccccc1)(c1cc(CCl)on1)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.32
CHRM1 P11229 6/20 0.32
KCNH2 Q12809 4/20 0.32
CYP2D6 P10635 4/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
POLB P06746 1/20 0.31
CHRM3 P20309 5/20 0.30
CHRM4 P08173 3/20 0.30
ACHE P22303 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
HRH1 P35367 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL1845152 1.00 CHRM2 (0.32) CHRM2CHRM1KCNH2CYP2D6S1PR1
SCHEMBL1846153 0.80 CYP2D6 (0.39) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL1846177 0.80 CYP2D6 (0.39) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL3230261 0.77 RAB9A (0.35) CHRM2CHRM1KCNH2CYP2D6POLB
SCHEMBL3230254 0.77 RAB9A (0.35) CHRM2CHRM1KCNH2CYP2D6POLB
SCHEMBL14291856 0.68 CHRM3 (0.39) CHRM2CHRM1KCNH2CYP2D6CHRM3
SCHEMBL4728734 0.68 POLB (0.41) CHRM2CHRM1KCNH2CYP2D6POLB
SCHEMBL20176049 0.63 MEN1 (0.36) CHRM2CHRM1KCNH2CYP2D6POLB
SCHEMBL1315214 0.62 KEAP1 (0.44) CHRM2CHRM1KCNH2CYP2D6POLB
SCHEMBL9809488 0.62 KEAP1 (0.46) CHRM2CHRM1KCNH2POLBCHRM3

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 10 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-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
EP-2323655-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT AstraZeneca AB (SE) 2011-05-25 EP disclosed
EP-2323656-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST AstraZeneca AB (SE) 2011-05-25 EP 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 CHRM2 11/4885CHRM1 21/4885KCNH2 233/4885
US-20110245292-A1 2-HYDROXY-ETHANESULFONATE SALT CHRM3, CHRM2, CHRM5 CHRM2 2/4885CHRM1 5/4885KCNH2 101/4885
US-20110207770-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT GRK5, GRK2, GRK4 CHRM2 14/4885CHRM1 34/4885KCNH2 1355/4885

“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.