SCHEMBL2003207

SCHEMBL2003207

COc1cccc(CNC(=N)N2CCC(OC(=O)[C@](O)(c3ccccc3)C3CCCC3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 7/20 0.54
▸ CHRM2 P08172 4/20 0.54
▸ CHRM1 P11229 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CHRM4 P08173 1/20 0.44
▸ CHRM5 P08912 1/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ PKM P14618 2/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ TP53 P04637 1/20 0.42

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
SCHEMBL1998155 0.90 ALDH1A1 (0.57) CHRM3CHRM2CHRM1ALDH1A1CYP1A2
SCHEMBL2001786 0.89 ALDH1A1 (0.51) CHRM3CHRM2CHRM1ALDH1A1CYP1A2
SCHEMBL1998368 0.88 ALDH1A1 (0.50) CHRM3CHRM2CHRM1ALDH1A1CYP1A2
SCHEMBL1996370 0.88 CHRM3 (0.58) CHRM3CHRM2CHRM1
SCHEMBL2002944 0.84 ALDH1A1 (0.53) CHRM3CHRM2CHRM1ALDH1A1CYP1A2
SCHEMBL1995630 0.84 ALDH1A1 (0.53) CHRM3CHRM2CHRM1ALDH1A1CYP1A2
SCHEMBL1996447 0.84 ALDH1A1 (0.60) CHRM3CHRM2CHRM1ALDH1A1CYP1A2
SCHEMBL2248997 0.84 ALDH1A1 (0.60) CHRM3CHRM2CHRM1ALDH1A1CYP1A2
SCHEMBL2003574 0.84 ALDH1A1 (0.54) CHRM3CHRM2CHRM1ALDH1A1CYP1A2
SCHEMBL2253107 0.83 ALDH1A1 (0.53) CHRM3CHRM2CHRM1ALDH1A1CYP1A2

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-8785633-B2 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-07-22 — — US disclosed
US-20130267706-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2013-10-10 — — US disclosed
US-8338424-B2 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-12-25 — — US disclosed
US-20120219509-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2012-08-30 — — US disclosed
US-8198304-B2 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-06-12 — — US disclosed
US-20110319448-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-12-29 — — US disclosed
US-8039489-B2 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-10-18 — — US disclosed
US-20110201583-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-08-18 — — US disclosed
US-7960385-B2 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-06-14 — — US disclosed
US-20090069335-A1 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2009-03-12 — — 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 (5 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-20130267706-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 CHRM3 1/4885CHRM2 4/4885CHRM1 3/4885
US-20110201583-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 CHRM3 1/4885CHRM2 4/4885CHRM1 3/4885
US-20110319448-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 CHRM3 1/4885CHRM2 4/4885CHRM1 3/4885
US-20120219509-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 CHRM3 1/4885CHRM2 4/4885CHRM1 3/4885
US-20090069335-A1 Guanidine-containing compounds useful as muscarinic receptor antagonists CHRM3, CHRM5, CHRM1 CHRM3 1/4885CHRM2 4/4885CHRM1 3/4885

“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.

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