SCHEMBL2491775

SCHEMBL2491775

CC(C)N(C(=O)OC(C)(C)C)C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 18/20 0.41
SLC6A4 P31645 18/20 0.41
SLC6A3 Q01959 8/20 0.33

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
SCHEMBL31249603 0.91 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3
SCHEMBL25298079 0.91 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3
SCHEMBL25250910 0.91 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3
SCHEMBL14666763 0.83 ADH1B (0.38)
SCHEMBL28410256 0.82 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL6125628 0.78 GPR119 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL135183 0.78 HSD11B1 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL14659524 0.77 SMN1; SMN2 (0.37)
SCHEMBL14659525 0.77 SMN1; SMN2 (0.37)
SCHEMBL4913906 0.77 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117957229-A Tyrosine kinase inhibitors 爱丁堡大学理事会 2024-04-30 CN disclosed
WO-2023017264-A1 TYROSINE KINASE INHIBITORS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2023-02-16 WO disclosed
WO-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed
CN-101300226-B Alkylcarbamoyl naphthoxyoctenoylhydroxyamide derivatives having inhibitory activity against histone deacetylase and process for preparing the same KOREA RES INST CHEM TECH 2012-05-30 CN disclosed
WO-2012066077-A1 1,4 DI SUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2012-05-24 WO disclosed
US-8030502-B2 Muscarinic M2 receptor antagonists; such as 4-{N-[7-(3-1-carbamoyl-1,1-diphenylmethyl)pyrrolidin-1-yl)hept-1-yl]-N-(isopropyl)amino}-1-(4-methoxypyrid-3-ylmethyl)piperidine; reduced blurred vision, constipation and dry mouth side effects THERAVANCE, INC. (US) 2011-10-04 US disclosed
CN-101300226-A Alkylcarbamoyl naphthoxyoctenoylhydroxyamide derivatives having inhibitory activity against histone deacetylase and process for preparing the same KOREA RES INST CHEM TECH (KR) 2008-11-05 CN disclosed
US-20080091034-A1 Substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds THERAVANCE, INC. 2008-04-17 US disclosed
CN-100364990-C Substituted 4-amino-1- (pyridylmethyl) piperidines and related compounds THERAVANCE INC (US) 2008-01-30 CN disclosed
US-7285564-B2 Substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds THERAVANCE, INC. (US) 2007-10-23 US disclosed
EP-1556372-B1 SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL) PIPERIDINE AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2007-05-30 EP disclosed
CN-1875017-A Naphthalene-1, 5-disulfonic acid salts of substituted 4-amino-1- (pyridylmethyl) piperidine compounds THERAVANCE INC (US) 2006-12-06 CN disclosed
EP-1680416-A2 NAPHTHALENE-1,5-DISULFONIC ACID SALTS OF A SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL)PIPERIDINE COMPOUND Theravance, Inc. (US) 2006-07-19 EP disclosed
CN-1708494-A Substituted 4-amino-1- (pyridylmethyl) piperidines and related compounds THERAVANCE INC (US) 2005-12-14 CN disclosed
EP-1556372-A2 SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL) PIPERIDINE AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2005-07-27 EP disclosed
US-20050113413-A1 Naphthalene-1,5-disulfonic acid salts of a substituted 4-amino-1-(pyridylmethyl)piperidine compound THERAVANCE, INC. 2005-05-26 US disclosed
WO-2005042514-A2 NAPHTHALENE-1,5-DISULFONIC ACID SALTS OF A SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL)PIPERIDINE COMPOUND THERAVANCE, INC. (US) 2005-05-12 WO disclosed
US-20040122014-A1 Muscarinic M2 receptor antagonists; such as 4-{N-[7-(3-1-carbamoyl-1,1-diphenylmethyl)pyrrolidin-1-yl)hept-1-yl]-N-(isopropyl)amino}-1-(4-methoxypyrid-3-ylmethyl)piperidine; reduced blurred vision, constipation and dry mouth side effects THERAVANCE BIOPHARMA R&D IP, LLC 2004-06-24 US disclosed
WO-2004041806-A2 SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL) PIPERIDINE AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2004-05-21 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 (3 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-20050113413-A1 Naphthalene-1,5-disulfonic acid salts of a substituted 4-amino-1-(pyridylmethyl)piperidine compound CHRM1, NPSR1, CHRM3 SLC6A2 492/4885SLC6A4 552/4885SLC6A3 289/4885
US-20040122014-A1 Muscarinic M2 receptor antagonists; such as 4-{N-[7-(3-1-carbamoyl-1,1-diphenylmethyl)pyrrolidin-1-yl)hept-1-yl]-N-(isopropyl)amino}-1-(4-methoxypyrid-3-ylmethyl)piperidine; reduced blurred vision, constipation and dry mouth side effects CHRM2, CHRM1, CHRM3 SLC6A2 3624/4885SLC6A4 2326/4885SLC6A3 2775/4885
US-20080091034-A1 Substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds CHRM5, CHRM1, CHRM3 SLC6A2 2263/4885SLC6A4 909/4885SLC6A3 2157/4885

“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.