SCHEMBL2444975

SCHEMBL2444975

NC1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 1.00
CHRM2 P08172 4/20 1.00
CHRM1 P11229 4/20 1.00
KEAP1 Q14145 1/20 0.59
NFE2L2 Q16236 1/20 0.59

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
SCHEMBL2444978 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1KEAP1NFE2L2
Hydrochloric Acid SCHEMBL6633538 0.99 CHRM3 (0.97) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL4883203 0.87 CHRM3 (0.78) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL16209859 0.87 CHRM3 (0.78) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL6635823 0.86 CHRM3 (1.00) CHRM3CHRM2CHRM1
SCHEMBL27779420 0.86 CHRM3 (0.76) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL15015222 0.86 CHRM3 (0.76) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL15127537 0.86 CHRM3 (0.76) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL27779338 0.85 CHRM3 (0.74) CHRM3CHRM2CHRM1KEAP1NFE2L2
SCHEMBL4894399 0.84 CHRM3 (0.73) CHRM3CHRM2CHRM1KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1290251-A N-acyl cyclic amine derivatives BANYU PHARMA CO LTD (JP) 2001-04-04 CN claimed
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-8450362-B2 Amidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-05-28 US disclosed
US-20120277250-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2012-11-01 US disclosed
US-20120277250-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2012-11-01 US disclosed
US-20120277250-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2012-11-01 US disclosed
US-8242138-B2 Amidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-08-14 US disclosed
US-8242138-B2 Amidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-08-14 US disclosed
US-8242138-B2 Amidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-08-14 US disclosed
US-8017617-B2 Amidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-09-13 US disclosed
US-8017617-B2 Amidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-09-13 US disclosed
US-8017617-B2 Amidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-09-13 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-20090170870-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-07-02 US disclosed
WO-2009079392-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2009-06-25 WO disclosed
CN-1290251-A N-acyl cyclic amine derivatives BANYU PHARMA CO LTD (JP) 2001-04-04 CN disclosed
EP-1061076-A1 N-ACYL CYCLIC AMINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-12-20 EP disclosed
US-6140333-A FOR TREATMENT AND/OR PROPHYLAXIS OF DISEASES INCLUDE SUCH RESPIRATORY DISEASES AS CHRONIC OBSTRUCTIVE PULMONARY DISEASES, CHRONIC BRONCHITIS, ASTHMA, CHRONIC RESPIRATORY OBSTRUCTION, PULMONARY FIBROSIS, PULMONARY EMPHYSEMA BANYU PHARMACEUTICAL CO LTD (JP) 2000-10-31 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 (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-20090170870-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 CHRM3 1/4885CHRM2 4/4885CHRM1 3/4885
US-20120277250-A1 AMIDINE-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.