Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | IDH1 | O75874 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL934703 | 1.00 | ADRA2A (0.37) | ADRA2AADRA2BADRA2CIDH1ALDH1A1 | |
| SCHEMBL933986 | 0.95 | ADRA2A (0.36) | ADRA2AADRA2BADRA2CIDH1ALDH1A1 | |
| SCHEMBL934281 | 0.88 | IDH1 (0.38) | ADRA2AADRA2BADRA2CIDH1ALDH1A1 | |
| SCHEMBL934280 | 0.88 | IDH1 (0.38) | ADRA2AADRA2BADRA2CIDH1ALDH1A1 | |
| SCHEMBL15229555 | 0.86 | HCRTR1 (0.40) | ADRA2AADRA2BADRA2CIDH1ALDH1A1 | |
| SCHEMBL16530785 | 0.84 | IDH1 (0.34) | IDH1HCRTR1CCNT1CDK9 | |
| SCHEMBL16530784 | 0.84 | IDH1 (0.34) | IDH1HCRTR1CCNT1CDK9 | |
| SCHEMBL18250667 | 0.82 | CCNT1 (0.31) | CCNT1CDK9 | |
| SCHEMBL2688541 | 0.81 | NPC1 (0.41) | — | |
| SCHEMBL11896989 | 0.81 | NPC1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9498478-B2 | Spiro aminic compounds with NK1 antagonist activity | ROTTAPHARM BIOTECH S.R.L. (IT) | 2016-11-22 | — | — | US | disclosed |
| US-9498478-B2 | Spiro aminic compounds with NK1 antagonist activity | ROTTAPHARM BIOTECH S.R.L. (IT) | 2016-11-22 | — | — | US | disclosed |
| US-20160045500-A1 | SPIRO AMINIC COMPOUNDS WITH NK1 ANTAGONIST ACTIVITY | Rottapharm Biotech Srl (IT) | 2016-02-18 | — | — | US | disclosed |
| EP-2670745-B1 | SPIRO AMINIC COMPOUNDS WITH NK1 ANTAGONIST ACTIVITY | Rottapharm Biotech Srl (IT) | 2015-11-04 | — | — | EP | disclosed |
| EP-2670745-B1 | SPIRO AMINIC COMPOUNDS WITH NK1 ANTAGONIST ACTIVITY | Rottapharm Biotech Srl (IT) | 2015-11-04 | — | — | EP | disclosed |
| EP-2454252-B1 | Spiro amino compounds suitable for the treatment of (inter alia) sleep disorders and drug addiction | Rottapharm Biotech Srl (IT) | 2015-03-04 | — | — | EP | disclosed |
| US-20130310400-A1 | SPIRO AMINIC COMPOUNDS WITH NK1 ANTAGONIST ACTIVITY | ROTTAPHARM S.P.A. (IT) | 2013-11-21 | — | — | US | disclosed |
| EP-2484674-A1 | Spiro aminic compounds with NK1 antagonist activity | ROTTAPHARM S.P.A. (IT) | 2012-08-08 | — | — | EP | disclosed |
| EP-2484674-A1 | Spiro aminic compounds with NK1 antagonist activity | ROTTAPHARM S.P.A. (IT) | 2012-08-08 | — | — | 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-20130310400-A1 | SPIRO AMINIC COMPOUNDS WITH NK1 ANTAGONIST ACTIVITY | TACR2, TACR1, TAC3 | ADRA2A 153/4885ADRA2B 154/4885ADRA2C 91/4885 |
| US-20160045500-A1 | SPIRO AMINIC COMPOUNDS WITH NK1 ANTAGONIST ACTIVITY | TACR2, TACR1, TAC3 | ADRA2A 153/4885ADRA2B 154/4885ADRA2C 91/4885 |
“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.