Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL315774 | 0.83 | NISCH (0.38) | NISCHGSTP1CYP1A2CYP3A4 | |
| SCHEMBL3167077 | 0.79 | SUV39H2 (0.46) | NISCHHSD17B1HSD17B2GSTP1NPC1 | |
| SCHEMBL314643 | 0.78 | QDPR (0.43) | CCNT1CDK9CYP3A4PTPN11HTR2C | |
| Water SCHEMBL7966495 | 0.75 | QDPR (0.58) | NISCHHSD17B1HSD17B2HTR1DCYP1A2 | |
| SCHEMBL314029 | 0.73 | AHR (0.38) | HTR2CHTR2A | |
| SCHEMBL313959 | 0.72 | SIGMAR1 (0.51) | HTR1DCCNT1CDK9CYP1A2CYP3A4 | |
| SCHEMBL1630255 | 0.71 | NPC1 (0.57) | NISCHHSD17B1HSD17B2GSTP1NPC1 | |
| SCHEMBL5210190 | 0.70 | CA12 (0.39) | NPC1RAB9A | |
| SCHEMBL31219397 | 0.70 | CYP1A1 (0.38) | CCNT1CDK9CYP1A2 | |
| SCHEMBL314098 | 0.70 | HTR2C (0.57) | HTR1ACYP1A2CYP3A4CYP2C9HTR2C |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8093388-B2 | 3-aza spiro[5,5]undec-8-ene derivatives and their use as monoamine neurotransmitter re-uptake inhibitors | NEUROSEARCH A/S (DK) | 2012-01-10 | — | — | US | claimed |
| EP-1899301-B1 | NOVEL 3-AZA-SPIRO[5.5]UNDEC-8-ENE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | NEUROSEARCH AS (DK) | 2010-09-15 | — | — | EP | claimed |
| US-20090036477-A1 | Novel 3-Aza-Spiro[5,5]Undec-8-Ene Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors | ANIONA APS (DK) | 2009-02-05 | — | — | US | claimed |
| EP-1899301-A1 | NOVEL 3-AZA-SPIROÝ5.5¨UNDEC-8-ENE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | NeuroSearch A/S (DK) | 2008-03-19 | — | — | EP | claimed |
| WO-2007000464-A1 | NOVEL 3-AZA-SPIRO[5.5]UNDEC-8-ENE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | NEUROSEARCH A/S (DK) | 2007-01-04 | — | — | WO | claimed |
| US-8093388-B2 | 3-aza spiro[5,5]undec-8-ene derivatives and their use as monoamine neurotransmitter re-uptake inhibitors | NEUROSEARCH A/S (DK) | 2012-01-10 | — | — | US | disclosed |
| EP-1899301-B1 | NOVEL 3-AZA-SPIRO[5.5]UNDEC-8-ENE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | NEUROSEARCH AS (DK) | 2010-09-15 | — | — | EP | disclosed |
| US-20090036477-A1 | Novel 3-Aza-Spiro[5,5]Undec-8-Ene Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors | ANIONA APS (DK) | 2009-02-05 | — | — | US | disclosed |
| EP-1899301-A1 | NOVEL 3-AZA-SPIROÝ5.5¨UNDEC-8-ENE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | NeuroSearch A/S (DK) | 2008-03-19 | — | — | EP | disclosed |
| WO-2007000464-A1 | NOVEL 3-AZA-SPIRO[5.5]UNDEC-8-ENE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | NEUROSEARCH A/S (DK) | 2007-01-04 | — | — | 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 (1 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-20090036477-A1 | Novel 3-Aza-Spiro[5,5]Undec-8-Ene Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors | SLC18A2, SLC6A2, SLC18A3 | NISCH 487/4885HSD17B1 849/4885HSD17B2 746/4885 |
“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.