Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.55 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.55 |
| ▸ | PDE5A | O76074 | 20/20 | 0.55 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.55 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.55 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.55 |
| ▸ | PDE2A | O00408 | 1/20 | 0.55 |
| ▸ | ABCC5 | O15440 | 1/20 | 0.55 |
| ▸ | PDE6D | O43924 | 1/20 | 0.55 |
| ▸ | PDE8A | O60658 | 1/20 | 0.55 |
| ▸ | PDE9A | O76083 | 1/20 | 0.55 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | PDE6A | P16499 | 1/20 | 0.55 |
| ▸ | PDE6G | P18545 | 1/20 | 0.55 |
| ▸ | PDE4A | P27815 | 1/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.55 |
| ▸ | PDE6B | P35913 | 1/20 | 0.55 |
| ▸ | PDE6C | P51160 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL13195833 | 0.98 | PDE5A (0.57) | PDE5APDE3BPDE3AABCC4PDE2A | |
| Iodide SCHEMBL15638726 | 0.97 | PDE5A (0.56) | PDE5APDE3BPDE3AABCC4PDE2A | |
| SCHEMBL15640034 | 0.94 | PDE5A (0.54) | PDE5APDE3BPDE3AABCC4PDE2A | |
| SCHEMBL17063188 | 0.93 | PDE5A (0.56) | PDE5APDE3BPDE3AABCC4PDE2A | |
| SCHEMBL15639098 | 0.92 | PDE5A (0.53) | PDE5APDE3BPDE3AABCC4PDE2A | |
| SCHEMBL12989194 | 0.92 | PDE5A (0.56) | PDE5APDE3BPDE3AABCC4PDE2A | |
| SCHEMBL12988694 | 0.91 | PDE5A (0.58) | PDE5APDE3BPDE3AABCC4PDE2A | |
| Iodide SCHEMBL15640063 | 0.91 | PDE5A (0.55) | PDE5APDE3BPDE3AABCC4PDE2A | |
| Iodide SCHEMBL12989833 | 0.91 | PDE5A (0.58) | PDE5APDE3BPDE3AABCC4PDE2A | |
| SCHEMBL12989016 | 0.90 | PDE5A (0.54) | PDE5APDE3BPDE3AABCC4PDE2A |
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-9556156-B2 | Compounds, their synthesis and their uses | Sphaera Pharma Pte Ltd. (SG) | 2017-01-31 | — | — | US | claimed |
| US-20150252027-A1 | NOVEL COMPOUNDS, THEIR SYNTHESIS AND THEIR USES | Sphaera Pharma Pte Ltd. (SG) | 2015-09-10 | — | — | US | claimed |
| EP-2903614-A2 | NOVEL COMPOUNDS, THEIR SYNTHESIS AND THEIR USES | Sphaera Pharma Pte. Ltd (SG) | 2015-08-12 | — | — | EP | claimed |
| EP-2903614-B1 | NOVEL COMPOUNDS, THEIR SYNTHESIS AND THEIR USES | SPHAERA PHARMA PTE LTD (SG) | 2021-09-29 | — | — | EP | disclosed |
| US-9556156-B2 | Compounds, their synthesis and their uses | Sphaera Pharma Pte Ltd. (SG) | 2017-01-31 | — | — | US | disclosed |
| US-20150252027-A1 | NOVEL COMPOUNDS, THEIR SYNTHESIS AND THEIR USES | Sphaera Pharma Pte Ltd. (SG) | 2015-09-10 | — | — | 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 (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-20150252027-A1 | NOVEL COMPOUNDS, THEIR SYNTHESIS AND THEIR USES | NR0B1, CYP2B6, NR2E1 | HTR1A 1181/4885ADRA1A 464/4885PDE5A 3269/4885 |
“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.