SCHEMBL1245050

SCHEMBL1245050

CCCCN(CCNCCc1ccc(O)c2c1OCC(=O)N2)C(=O)CCOCCc1cccc(CCN2CCC3(CC2)CN(C(=O)c2csc(C(C)C)n2)CCO3)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.44
CHRM3 P20309 5/20 0.44
ADRB2 P07550 10/20 0.41
SMYD2 Q9NRG4 5/20 0.39
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 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
Sulfuric Acid SCHEMBL1246196 0.98 CHRM2 (0.44) CHRM2CHRM3ADRB2SMYD2DRD2
Trifluoroacetic Acid SCHEMBL6523373 0.97 CHRM2 (0.42) CHRM2CHRM3ADRB2SMYD2DRD2
SCHEMBL12788933 0.96 CHRM2 (0.44) CHRM2CHRM3ADRB2SMYD2DRD2
SCHEMBL12846730 0.96 CHRM3 (0.44) CHRM2CHRM3ADRB2SMYD2DRD2
SCHEMBL14616984 0.95 CHRM3 (0.45) CHRM2CHRM3ADRB2SMYD2DRD2
SCHEMBL12788946 0.94 CHRM2 (0.47) CHRM2CHRM3ADRB2SMYD2DRD2
Trifluoroacetic Acid SCHEMBL6522142 0.93 CHRM3 (0.41) CHRM2CHRM3ADRB2SMYD2DRD2
SCHEMBL12789034 0.93 CHRM3 (0.45) CHRM2CHRM3ADRB2SMYD2DRD2
SCHEMBL12788923 0.92 CHRM3 (0.45) CHRM2CHRM3ADRB2SMYD2DRD2
SCHEMBL6527432 0.92 CHRM2 (0.41) CHRM2CHRM3ADRB2SMYD2DRD2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459572-B1 SPIROCYCLIC AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2018-09-12 EP claimed
WO-2012085583-A1 NEW COMPOUND ASTRAZENECA AB (SE) 2012-06-28 WO claimed
US-10954211-B2 Chemical compounds ASTRAZENECA AB (SE) 2021-03-23 US disclosed
US-20190330187-A1 Chemical Compounds ASTRAZENECA UK LIMITED (GB) 2019-10-31 US disclosed
US-10336725-B2 Chemical compounds ASTRAZENECA AB (SE) 2019-07-02 US disclosed
EP-2459572-B1 SPIROCYCLIC AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2018-09-12 EP disclosed
US-20180162838-A1 Chemical Compounds ASTRAZENECA AB (SE) 2018-06-14 US disclosed
EP-3119752-B1 3,4-DIAMINO-6-CHLOROPYRAZINE-2-CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF ENAC MEDIATED DISEASES ASTRAZENECA AB (SE) 2018-05-16 EP disclosed
US-9873678-B2 Chemical compounds ASTRAZENECA AB (SE) 2018-01-23 US disclosed
US-20170107195-A1 Chemical Compounds ASTRAZENECA AB (SE) 2017-04-20 US disclosed
EP-3119752-A1 CHEMICAL COMPOUNDS Astrazeneca AB (SE) 2017-01-25 EP disclosed
WO-2012085583-A1 NEW COMPOUND ASTRAZENECA AB (SE) 2012-06-28 WO disclosed
WO-2012085583-A1 NEW COMPOUND ASTRAZENECA AB (SE) 2012-06-28 WO disclosed
WO-2012085583-A1 NEW COMPOUND ASTRAZENECA AB (SE) 2012-06-28 WO disclosed
EP-2459572-A2 SPIROCYCLIC AMIDE DERIVATIVES AstraZeneca AB (SE) 2012-06-06 EP disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 WO disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 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 (6 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-20170107195-A1 Chemical Compounds CFTR, SCNN1B, SCNN1A CHRM2 910/4885CHRM3 167/4885ADRB2 147/4885
US-10336725-B2 Chemical compounds CFTR, SCNN1B, SCNN1A CHRM2 910/4885CHRM3 167/4885ADRB2 147/4885
US-20180162838-A1 Chemical Compounds CFTR, SCNN1B, SCNN1A CHRM2 910/4885CHRM3 167/4885ADRB2 147/4885
US-10954211-B2 Chemical compounds CFTR, SCNN1B, SCNN1A CHRM2 910/4885CHRM3 167/4885ADRB2 147/4885
US-20190330187-A1 Chemical Compounds CFTR, SCNN1B, SCNN1A CHRM2 910/4885CHRM3 167/4885ADRB2 147/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 CHRM2 157/4885CHRM3 97/4885ADRB2 2/4885

“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.