SCHEMBL2494420

SCHEMBL2494420

COC(CCCCCC=O)OC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
FAAH O00519 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
HIF1A Q16665 1/20 0.39
SMPD1 P17405 3/20 0.31
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1008818 1.00 TSHR (0.46) TSHRFAAHTRPV1HIF1ASMPD1
SCHEMBL4016773 1.00 TSHR (0.46) TSHRFAAHTRPV1HIF1ASMPD1
SCHEMBL1367335 0.98 TSHR (0.42) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL198865 0.91 HIF1A (0.43) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL11045965 0.89 TSHR (0.38) TSHRFAAHTRPV1HIF1AUSP2
SCHEMBL1153789 0.80
SCHEMBL19287199 0.80 TSHR (0.44) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL7934735 0.80 SMPD1 (0.36) SMPD1
SCHEMBL7934687 0.80 SMPD1 (0.36) SMPD1
SCHEMBL5160133 0.80 SMPD1 (0.36) SMPD1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-8080565-B2 Substituted 4-amino-benzylpiperidine compounds THERAVANCE, INC. (US) 2011-12-20 US 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
US-7572918-B2 Prepared in high yield and high purity without the need for isolation of intermediates and chromatographic purification; useful as muscarinic receptor antagonists; 4-{N-[7-(3-(S)-1-carbamoyl-1,1-diphenylmethyl)-pyrrolidin-1-yl)-hept-1-yl]-N-(isopropyl)amino}-1-(4-methoxypyrid-3-ylmethyl)-piperidine THERAVANCE, INC. (US) 2009-08-11 US disclosed
US-20090023777-A1 Substituted 4-amino-benzylpiperidine compounds THERAVANCE BIOPHARMA R&D IP, LLC 2009-01-22 US disclosed
US-7368463-B2 Substituted 4-amino-1-benzylpiperidine compounds THERAVANCE, INC. (US) 2008-05-06 US 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-1805168-A1 PROCESS FOR PREPARING SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL)PIPERIDINE AND RELATED COMPOUNDS Theravance, Inc. (US) 2007-07-11 EP disclosed
US-20060094878-A1 Process for preparing substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds THERAVANCE, INC. 2006-05-04 US disclosed
EP-1644356-A1 SUBSTITUTED 4-AMINO-1-BENZYLPIPERIDINE COMPOUNDS Theravance, Inc. (US) 2006-04-12 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-20050026954-A1 Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma THERAVANCE BIOPHARMA R&D IP, LLC 2005-02-03 US disclosed
WO-2005007645-A1 SUBSTITUTED 4-AMINO-1-BENZYLPIPERIDINE COMPOUNDS THERAVANCE, INC. (US) 2005-01-27 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 (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-20050113413-A1 Naphthalene-1,5-disulfonic acid salts of a substituted 4-amino-1-(pyridylmethyl)piperidine compound CHRM1, NPSR1, CHRM3 TSHR 380/4885FAAH 1849/4885TRPV1 33/4885
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 TSHR 296/4885FAAH 1668/4885TRPV1 34/4885
US-20060094878-A1 Process for preparing substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds CHRM4, CHRM3, CHRM1 TSHR 163/4885FAAH 1443/4885TRPV1 236/4885
US-20080091034-A1 Substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds CHRM5, CHRM1, CHRM3 TSHR 775/4885FAAH 1255/4885TRPV1 93/4885
US-20050026954-A1 Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma CHRM5, CHRM3, CHRM1 TSHR 912/4885FAAH 1189/4885TRPV1 125/4885
US-20090023777-A1 Substituted 4-amino-benzylpiperidine compounds CHRM5, CHRM3, GPR4 TSHR 1509/4885FAAH 1093/4885TRPV1 63/4885

“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.