SCHEMBL1999952

SCHEMBL1999952

O=C(O[C@@H]1CCNC1)[C@](O)(c1ccccc1)C1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.61
CHRM2 P08172 3/20 0.61
ALDH1A1 P00352 2/20 0.60
CHRM1 P11229 2/20 0.60
KCNH2 Q12809 2/20 0.60
CYP1A2 P05177 2/20 0.60
CHRM4 P08173 1/20 0.60
CHRM5 P08912 1/20 0.60
HRH1 P35367 1/20 0.60
HTR2B P41595 1/20 0.60
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
KEAP1 Q14145 1/20 0.55
NFE2L2 Q16236 1/20 0.55
POLB P06746 1/20 0.48
SLC6A3 Q01959 1/20 0.46
HTT P42858 1/20 0.46
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45

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
SCHEMBL14526652 1.00 CHRM3 (0.61) CHRM3CHRM2ALDH1A1CHRM1KCNH2
SCHEMBL11465571 0.99 CHRM3 (0.60) CHRM3CHRM2ALDH1A1CHRM1KCNH2
SCHEMBL20476344 0.92 CHRM3 (0.64) CHRM3CHRM2ALDH1A1CHRM1KCNH2
Hydrochloric Acid SCHEMBL6588205 0.88 CHRM3 (0.59) CHRM3CHRM2ALDH1A1CHRM1KCNH2
SCHEMBL14753777 0.84 CYP3A4 (0.70) CHRM3CHRM2ALDH1A1CHRM1KCNH2
SCHEMBL14753782 0.84 CYP3A4 (0.70) CHRM3CHRM2ALDH1A1CHRM1KCNH2
SCHEMBL2128059 0.84 CHRM3 (0.65) CHRM3CHRM2ALDH1A1CHRM1KCNH2
SCHEMBL6402188 0.83 CHRM2 (0.61) CHRM3CHRM2CHRM1
SCHEMBL6402190 0.83 CHRM2 (0.61) CHRM3CHRM2CHRM1
SCHEMBL6404431 0.83 CHRM2 (0.61) CHRM3CHRM2CHRM1

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 32 patents — showing the first 20. 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-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-20130267706-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2013-10-10 US disclosed
US-8450362-B2 Amidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-05-28 US disclosed
US-8450362-B2 Amidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-05-28 US disclosed
US-8338424-B2 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-12-25 US disclosed
US-8338424-B2 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-12-25 US disclosed
US-20120277250-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2012-11-01 US disclosed
US-20120219509-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2012-08-30 US disclosed
US-20110201583-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-08-18 US disclosed
US-20110201583-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-08-18 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-7960385-B2 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-06-14 US disclosed
US-7960385-B2 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-06-14 US disclosed
US-20090170870-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-07-02 US disclosed
US-20090170870-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-07-02 US disclosed
US-20090069335-A1 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2009-03-12 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 (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-20130267706-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 CHRM3 1/4885CHRM2 4/4885ALDH1A1 2899/4885
US-20110201583-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 CHRM3 1/4885CHRM2 4/4885ALDH1A1 2899/4885
US-20090170870-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 CHRM3 1/4885CHRM2 4/4885ALDH1A1 4249/4885
US-20120277250-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 CHRM3 1/4885CHRM2 4/4885ALDH1A1 4249/4885
US-20120219509-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 CHRM3 1/4885CHRM2 4/4885ALDH1A1 2899/4885
US-20090069335-A1 Guanidine-containing compounds useful as muscarinic receptor antagonists CHRM3, CHRM5, CHRM1 CHRM3 1/4885CHRM2 4/4885ALDH1A1 2899/4885

“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.