Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 5/20 | 0.45 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.45 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | PLK1 | P53350 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 4/20 | 0.41 |
| ▸ | TNKS | O95271 | 2/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.41 |
| ▸ | RXRA | P19793 | 2/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4975818 | 1.00 | IP6K1 (0.45) | IP6K1IP6K3IP6K2HDAC2HDAC1 | |
| SCHEMBL23648712 | 0.91 | HDAC2 (0.45) | HDAC2HDAC1PLK1PARP1TNKS | |
| SCHEMBL23648688 | 0.88 | CYP1A2 (0.41) | HDAC2HDAC1PLK1PARP1NR1H2 | |
| SCHEMBL3728233 | 0.87 | HDAC2 (0.40) | HDAC2HDAC1PLK1PARP1TNKS | |
| SCHEMBL30507206 | 0.86 | ADRA2B (0.47) | IP6K1IP6K3IP6K2NR1H2RXRA | |
| SCHEMBL23648571 | 0.86 | IP6K1 (0.55) | IP6K1IP6K3IP6K2IDO1 | |
| SCHEMBL13310616 | 0.86 | ADRA2B (0.47) | IP6K1IP6K3IP6K2NR1H2RXRA | |
| SCHEMBL25316224 | 0.86 | IP6K1 (0.43) | IP6K1IP6K3IP6K2PARP1TNKS | |
| SCHEMBL30506924 | 0.86 | IP6K1 (0.43) | IP6K1IP6K3IP6K2PARP1TNKS | |
| SCHEMBL4268010 | 0.85 | ALDH1A1 (0.47) | IP6K1IP6K3IP6K2NR1H2RXRA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7354925-B2 | Alpha aryl or heteroaryl methyl beta piperidino propanamide compounds as ORL1-receptor antagonists | PFIZER INC. (US) | 2008-04-08 | — | — | US | disclosed |
| US-7279486-B2 | Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists | PFIZER INC. (US) | 2007-10-09 | — | — | US | disclosed |
| US-20070197500-A1 | 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain | PFIZER, INC. | 2007-08-23 | — | — | US | disclosed |
| EP-1732928-A2 | ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS | Pfizer, Inc. (US) | 2006-12-20 | — | — | EP | disclosed |
| US-20050277659-A1 | Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists | PFIZER JAPAN INC. (JP) | 2005-12-15 | — | — | US | disclosed |
| WO-2005092895-A2 | ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS | PFIZER JAPAN INC. (JP) | 2005-10-06 | — | — | 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 (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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050277659-A1 | Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists | OPRL1, OGFRL1, ORMDL3 | IP6K1 1515/4885IP6K3 2306/4885IP6K2 2221/4885 |
| US-20070197500-A1 | 3-(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl)-N,N-dimethyl-2-(pyridin-2-ylmethyl)propanamide; opioid receptor-like 1 antagonist; reduced inhibitory activity at HERG potassium channel; analgesic; side effect reduction; neurpathic and other pain | OPRL1, OPRD1, OPRK1 | IP6K1 657/4885IP6K3 1240/4885IP6K2 938/4885 |
“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.