Sugi Predict

Sugi Predict / Compounds / SCHEMBL2494612

SCHEMBL2494612

SCHEMBL2494612

NC(=O)C(c1ccccc1)(c1ccccc1)C1CCN(CCCCCCCO)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 3/20 0.57
▸ KCNH2 Q12809 3/20 0.57
▸ ADRB2 P07550 2/20 0.57
▸ CHRM2 P08172 2/20 0.57
▸ CHRM4 P08173 1/20 0.57
▸ ADRB1 P08588 1/20 0.57
▸ CHRM5 P08912 1/20 0.57
▸ ADRA2A P08913 1/20 0.57
▸ CHRM1 P11229 1/20 0.57
▸ DRD2 P14416 1/20 0.57
▸ KCNE1 P15382 1/20 0.57
▸ ADRA2B P18089 1/20 0.57
▸ ADRA2C P18825 1/20 0.57
▸ HRH2 P25021 1/20 0.57
▸ HTR2A P28223 1/20 0.57
▸ SLC6A4 P31645 1/20 0.57
▸ ADRA1A P35348 1/20 0.57
▸ OPRM1 P35372 1/20 0.57
▸ OPRK1 P41145 1/20 0.57
▸ HTR2B P41595 1/20 0.57

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
SCHEMBL959819 1.00 CHRM3 (0.57) CHRM3KCNH2ADRB2CHRM2CHRM4
SCHEMBL959818 1.00 CHRM3 (0.57) CHRM3KCNH2ADRB2CHRM2CHRM4
SCHEMBL2494609 1.00 CHRM3 (0.57) CHRM3KCNH2ADRB2CHRM2CHRM4
SCHEMBL4349048 1.00 CHRM3 (0.57) CHRM3KCNH2ADRB2CHRM2CHRM4
SCHEMBL4349051 1.00 CHRM3 (0.57) CHRM3KCNH2ADRB2CHRM2CHRM4
SCHEMBL12052728 0.95 KCNH2 (0.59) CHRM3KCNH2ADRB2CHRM2CHRM4
SCHEMBL13590293 0.95 CHRM3 (0.61) CHRM3KCNH2ADRB2CHRM2CHRM4
SCHEMBL13590079 0.95 CHRM3 (0.61) CHRM3KCNH2ADRB2CHRM2CHRM4
SCHEMBL13590337 0.95 CHRM3 (0.61) CHRM3KCNH2ADRB2CHRM2CHRM4
SCHEMBL13590478 0.95 CHRM3 (0.61) CHRM3KCNH2ADRB2CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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
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
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 (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-20050113413-A1 Naphthalene-1,5-disulfonic acid salts of a substituted 4-amino-1-(pyridylmethyl)piperidine compound CHRM1, NPSR1, CHRM3 CHRM3 3/4885KCNH2 191/4885ADRB2 99/4885
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 CHRM3 3/4885KCNH2 421/4885ADRB2 20/4885
US-20080091034-A1 Substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds CHRM5, CHRM1, CHRM3 CHRM3 3/4885KCNH2 389/4885ADRB2 18/4885
US-20050026954-A1 Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma CHRM5, CHRM3, CHRM1 CHRM3 2/4885KCNH2 632/4885ADRB2 9/4885
US-20090023777-A1 Substituted 4-amino-benzylpiperidine compounds CHRM5, CHRM3, GPR4 CHRM3 2/4885KCNH2 386/4885ADRB2 8/4885

“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.