SCHEMBL1850878

SCHEMBL1850878

NNC(=O)[C@](O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.66
NFE2L2 Q16236 1/20 0.66
CHRM3 P20309 9/20 0.55
CHRM2 P08172 8/20 0.55
CHRM1 P11229 8/20 0.55

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
SCHEMBL1850881 1.00 KEAP1 (0.66) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL27422728 0.84 KEAP1 (0.66) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL4619902 0.83 KEAP1 (0.68) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL4618170 0.82 KEAP1 (0.72) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL360473 0.82 KEAP1 (0.72) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL1431227 0.82 KEAP1 (0.72) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL1235433 0.82 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL198082 0.82 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL2764243 0.82 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL3909615 0.82 KEAP1 (0.96) KEAP1NFE2L2CHRM3CHRM2CHRM1

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 7 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-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
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-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 (2 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 KEAP1 1640/4885NFE2L2 1927/4885CHRM3 13/4885
US-20110207770-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A SECOND ACTIVE INGREDIENT GRK5, GRK2, GRK4 KEAP1 3123/4885NFE2L2 4519/4885CHRM3 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.