SCHEMBL1848679

SCHEMBL1848679

Fc1cccc(O[C@H]2CN3CCC2CC3)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.47
CHRM1 P11229 3/20 0.47
CHRM3 P20309 3/20 0.47
LSS P48449 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CHRNA7 P36544 1/20 0.43

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
SCHEMBL1849637 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM3LSSSLC6A2
Hydrochloric Acid SCHEMBL9469102 0.98 CHRM2 (0.46) CHRM2CHRM1CHRM3LSSSLC6A2
SCHEMBL1018855 0.83 LSS (0.45) CHRM2CHRM1CHRM3LSSCHRNA7
SCHEMBL9469879 0.82 CHRNB2 (0.48) LSSSLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL13495086 0.82 CHRNB2 (0.48) LSSSLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL3215247 0.82 TSHR (0.56) LSSSLC6A2SLC6A4SLC6A3
SCHEMBL3238913 0.82 LSS (0.49) LSS
SCHEMBL13495085 0.82 ALDH1A1 (0.55) CHRM2CHRM1CHRM3LSSSLC6A2
SCHEMBL13495092 0.82 LSS (0.46) LSSSLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL3238906 0.82 LSS (0.49) LSS

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 24 patents — showing the first 20. 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-20110245292-A1 2-HYDROXY-ETHANESULFONATE SALT 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-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-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-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
EP-2121688-A1 HETEROCYCLIC DERIVATIVES AS M3 MUSCARINIC RECEPTORS Argenta Discovery Ltd (GB) 2009-11-25 EP disclosed
WO-2009098453-A1 AZONIA BICYCLOALKANES AS M3 MUSCARINIC ACETYLCHOLIN RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2009-08-13 WO disclosed
WO-2009098453-A1 AZONIA BICYCLOALKANES AS M3 MUSCARINIC ACETYLCHOLIN RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2009-08-13 WO 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 (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 21/4885CHRM3 13/4885
US-20110245292-A1 2-HYDROXY-ETHANESULFONATE SALT CHRM3, CHRM2, CHRM5 CHRM2 2/4885CHRM1 5/4885CHRM3 1/4885
US-20110207770-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT GRK5, GRK2, GRK4 CHRM2 14/4885CHRM1 34/4885CHRM3 4/4885

“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.