SCHEMBL3540118

SCHEMBL3540118

O=C(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)NCCCCCNCc1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.61
ADRB2 P07550 1/20 0.61

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
SCHEMBL3537103 1.00 CHRM3 (0.61) CHRM3ADRB2
SCHEMBL3536476 0.93 CHRM3 (0.61) CHRM3ADRB2
SCHEMBL3539460 0.93 CHRM3 (0.61) CHRM3ADRB2
SCHEMBL3538438 0.93 CHRM3 (0.61) CHRM3ADRB2
SCHEMBL3146753 0.92 CHRM3 (0.58) CHRM3ADRB2
SCHEMBL3138369 0.92 CHRM3 (0.58) CHRM3ADRB2
SCHEMBL3538699 0.92 CHRM3 (0.63) CHRM3ADRB2
SCHEMBL3532701 0.91 CHRM3 (0.59) CHRM3ADRB2
SCHEMBL3142617 0.90 CHRM3 (0.57) CHRM3ADRB2
SCHEMBL3134770 0.90 CHRM3 (0.56) CHRM3ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569588-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2009-08-04 US claimed
EP-1723111-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2006-11-22 EP claimed
WO-2006099166-A1 CRYSTALLINE FORMS OF A BIPHENYL COMPOUND THERAVANCE, INC. (US) 2006-09-21 WO claimed
US-20060205949-A1 Crystalline forms of a biphenyl compound THERAVANCE, INC. 2006-09-14 US claimed
WO-2005087732-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 WO claimed
US-20050203083-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 US claimed
US-7858792-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2010-12-28 US disclosed
US-7858792-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2010-12-28 US disclosed
US-7858792-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2010-12-28 US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7569588-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2009-08-04 US disclosed
US-7569588-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2009-08-04 US disclosed
US-7569588-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2009-08-04 US disclosed
US-20060205949-A1 Crystalline forms of a biphenyl compound THERAVANCE, INC. 2006-09-14 US disclosed
US-20060205949-A1 Crystalline forms of a biphenyl compound THERAVANCE, INC. 2006-09-14 US disclosed
US-7064215-B2 Indazole benzimidazole compounds CHIRON CORPORATION (US) 2006-06-20 US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 US disclosed
WO-2005087732-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 WO disclosed
US-20050203083-A1 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 US disclosed
US-20030207883-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2003-11-06 US 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 (4 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-20060205949-A1 Crystalline forms of a biphenyl compound H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2B6, SULT2A1 CHRM3 1354/4885ADRB2 2372/4885
US-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK CHRM3 3348/4885ADRB2 1823/4885
US-20050203083-A1 Biphenyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM3 CHRM3 3/4885ADRB2 18/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 CHRM3 2085/4885ADRB2 648/4885

“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.