Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.61 |
| ▸ | ATM | Q13315 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | PKM | P14618 | 2/20 | 0.57 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | WNT3A | P56704 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.54 |
| ▸ | RELA | Q04206 | 1/20 | 0.54 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5531108 | 0.92 | NPC1 (0.63) | TSHRKDM4EATMHPGDPKM | |
| SCHEMBL5416122 | 0.88 | ALDH1A1 (0.69) | TSHRHPGDPKMCTNNB1MAPT | |
| SCHEMBL624490 | 0.84 | TSHR (1.00) | TSHRKDM4EATMHPGDPKM | |
| SCHEMBL29410881 | 0.84 | TSHR (1.00) | TSHRKDM4EATMHPGDPKM | |
| SCHEMBL4824992 | 0.83 | NPSR1 (0.74) | TSHRKDM4EATMHPGDPKM | |
| Formaldehyde SCHEMBL27289523 | 0.82 | MAPK1 (0.72) | TSHRKDM4EATMHPGDPKM | |
| SCHEMBL619634 | 0.82 | MAPK1 (0.78) | TSHRKDM4EATMHPGDPKM | |
| SCHEMBL102971 | 0.80 | KDM4E (0.89) | TSHRKDM4EATMHPGDPKM | |
| SCHEMBL828491 | 0.80 | TSHR (0.67) | TSHRKDM4EATMHPGDPKM | |
| SCHEMBL7791783 | 0.79 | ATM (0.70) | TSHRKDM4EATMHPGDPKM |
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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7368463-B2 | Substituted 4-amino-1-benzylpiperidine compounds | THERAVANCE, INC. (US) | 2008-05-06 | — | — | US | claimed |
| US-7285564-B2 | Substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds | THERAVANCE, INC. (US) | 2007-10-23 | — | — | US | claimed |
| EP-1556372-B1 | SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL) PIPERIDINE AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE INC (US) | 2007-05-30 | — | — | EP | claimed |
| EP-1644356-A1 | SUBSTITUTED 4-AMINO-1-BENZYLPIPERIDINE COMPOUNDS | Theravance, Inc. (US) | 2006-04-12 | — | — | EP | claimed |
| EP-1556372-A2 | SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL) PIPERIDINE AS MUSCARINIC RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2005-07-27 | — | — | EP | claimed |
| 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 | claimed |
| WO-2005007645-A1 | SUBSTITUTED 4-AMINO-1-BENZYLPIPERIDINE COMPOUNDS | THERAVANCE, INC. (US) | 2005-01-27 | — | — | WO | claimed |
| 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 | claimed |
| WO-2004041806-A2 | SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL) PIPERIDINE AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2004-05-21 | — | — | WO | claimed |
| US-20030181447-A1 | 3-(Diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives | BOYD ROBERT E (US) | 2003-09-25 | — | — | US | claimed |
| US-6552036-B2 | Delta-opioid or mu-opioid receptor modulators; useful analgesics, immunosuppressants, antiinflammatory agents, agents for the treatment of respiratory diseases. | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2003-04-22 | — | — | US | claimed |
| US-20020115662-A1 | 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives | BOYD ROBERT E (US) | 2002-08-22 | — | — | US | claimed |
| US-20010031758-A1 | Substituted 9H-pyridino[2,3-b] indole and 9H-pyrimidino[4,5-b] indole derivatives: selective neuropeptide Y receptor ligands | NEUROGEN CORPORATION | 2001-10-18 | — | — | US | claimed |
| US-6221875-B1 | TREATING FEEDING DISORDERS, OBESITY, BULIMIA NERVOSA OR HYPERTENSION IN A MAMMAL | NEUROGEN CORPORATION | 2001-04-24 | — | — | US | claimed |
| US-8765728-B2 | [1,5]-diazocin derivatives | MELLITECH (FR) | 2014-07-01 | — | — | US | disclosed |
| US-20120225892-A1 | [1,5]-Diazocin Derivatives | MELLITECH (FR) | 2012-09-06 | — | — | US | disclosed |
| US-8080565-B2 | Substituted 4-amino-benzylpiperidine compounds | THERAVANCE, INC. (US) | 2011-12-20 | — | — | US | disclosed |
| US-20010031758-A1 | Substituted 9H-pyridino[2,3-b] indole and 9H-pyrimidino[4,5-b] indole derivatives: selective neuropeptide Y receptor ligands | NEUROGEN CORPORATION | 2001-10-18 | — | — | US | disclosed |
| WO-2001066543-A2 | 3-(DIARYLMETHYLENE)-8-AZABICYCLO[3.2.1]OCTANE DERIVATIVES | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-09-13 | — | — | WO | disclosed |
| US-6221875-B1 | TREATING FEEDING DISORDERS, OBESITY, BULIMIA NERVOSA OR HYPERTENSION IN A MAMMAL | NEUROGEN CORPORATION | 2001-04-24 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| 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 296/4885KDM4E 2117/4885ATM 4522/4885 |
| US-20020115662-A1 | 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives | OPRM1, OPRK1, OPRD1 | TSHR 567/4885KDM4E 1465/4885ATM 4764/4885 |
| US-20050026954-A1 | Muscarinic receptor antagonists; overactive bladder, irritable bowel syndrome, chronic obstructive pulmonary disease, and asthma | CHRM5, CHRM3, CHRM1 | TSHR 912/4885KDM4E 1655/4885ATM 2596/4885 |
| US-20120225892-A1 | [1,5]-Diazocin Derivatives | IAPP, INSR, GLP1R | TSHR 2640/4885KDM4E 3585/4885ATM 3576/4885 |
| US-20030181447-A1 | 3-(Diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives | OPRM1, OPRK1, OPRD1 | TSHR 567/4885KDM4E 1465/4885ATM 4764/4885 |
| US-20010031758-A1 | Substituted 9H-pyridino[2,3-b] indole and 9H-pyrimidino[4,5-b] indole derivatives: selective neuropeptide Y receptor ligands | NPY1R, NPY2R, NPY5R | TSHR 117/4885KDM4E 2474/4885ATM 4355/4885 |
“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.