Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 10/20 | 0.39 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | ANPEP | P15144 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16515479 | 1.00 | KMT2A (0.41) | KMT2AP2RX7FKBP1ACYP1A2HIF1A | |
| SCHEMBL10338892 | 0.85 | KMT2A (0.41) | KMT2AP2RX7CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10559588 | 0.84 | KMT2A (0.40) | KMT2AP2RX7CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2576673 | 0.81 | P2RX7 (0.51) | P2RX7 | |
| SCHEMBL2576672 | 0.81 | P2RX7 (0.51) | P2RX7 | |
| SCHEMBL6706546 | 0.81 | ACE (0.41) | KMT2AP2RX7ALDH1A1MEN1 | |
| SCHEMBL10561681 | 0.79 | CHRM2 (0.60) | CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12923195 | 0.78 | P2RX7 (0.36) | KMT2AP2RX7 | |
| SCHEMBL10561609 | 0.78 | CHRM2 (0.59) | CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL16521964 | 0.78 | P2RX7 (0.39) | KMT2AP2RX7MEN1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3036236-B1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II | LEO PHARMA AS (DK) | 2017-06-07 | — | — | EP | disclosed |
| US-20160207930-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II | LEO PHARMA A/S (DK) | 2016-07-21 | — | — | US | disclosed |
| EP-3036236-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II | LEO PHARMA A/S (DK) | 2016-06-29 | — | — | EP | disclosed |
| WO-2015024878-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II | LEO PHARMA A/S (DK) | 2015-02-26 | — | — | WO | disclosed |
| WO-2015024203-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II | LEO PHARMA A/S (DK) | 2015-02-26 | — | — | WO | disclosed |
| EP-2098526-B1 | Nitrogen-containing bicyclic compounds active on chronic pain conditions | NEUROTUNE AG (CH) | 2014-01-15 | — | — | EP | disclosed |
| US-8334286-B2 | Substituted pyrrolo[1,2-A] pyrazines, compositions containing these, processes of making these, and uses thereof | NEUROTUNE AG (CH) | 2012-12-18 | — | — | US | disclosed |
| US-20110015200-A1 | NITROGEN-CONTAINING BYCYCLIC COMPOUNDS ACTIVE ON CHRONIC PAIN CONDITIONS | NEUROTUNE AG (CH) | 2011-01-20 | — | — | US | disclosed |
| EP-2098526-A1 | Nitrogen-containing bicyclic compounds active on chronic pain conditions | Neurotune AG (CH) | 2009-09-09 | — | — | EP | 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-20160207930-A1 | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II | TACR2, TACR1, HRH4 | KMT2A 1422/4885P2RX7 125/4885FKBP1A 3107/4885 |
| US-20110015200-A1 | NITROGEN-CONTAINING BYCYCLIC COMPOUNDS ACTIVE ON CHRONIC PAIN CONDITIONS | OPRL1, CNR1, OPRK1 | KMT2A 3479/4885P2RX7 49/4885FKBP1A 245/4885 |
“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.