Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. 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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 8/20 | 0.60 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.45 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.45 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10265348 | 0.99 | SIGMAR1 (0.61) | SIGMAR1S1PR5CYP2D6TP53CYP1A2 | |
| SCHEMBL325502 | 0.89 | SIGMAR1 (0.58) | SIGMAR1S1PR5CYP2D6TP53CYP1A2 | |
| SCHEMBL1269040 | 0.85 | SIGMAR1 (0.56) | SIGMAR1S1PR5CYP2D6TP53CYP1A2 | |
| SCHEMBL1587952 | 0.83 | SIGMAR1 (0.57) | SIGMAR1S1PR5CYP2D6TP53CYP1A2 | |
| SCHEMBL320767 | 0.82 | SIGMAR1 (0.63) | SIGMAR1S1PR5CYP2D6TSHRALDH1A1 | |
| SCHEMBL14529890 | 0.81 | ABCB1 (0.50) | SIGMAR1S1PR5CYP2D6TP53CYP1A2 | |
| SCHEMBL25344327 | 0.80 | S1PR5 (0.51) | SIGMAR1S1PR5CYP2D6TP53CYP1A2 | |
| SCHEMBL21138410 | 0.78 | S1PR5 (0.52) | SIGMAR1S1PR5CYP2D6TP53CYP1A2 | |
| SCHEMBL16659190 | 0.77 | CYP3A4 (0.44) | SIGMAR1CYP3A4ALDH1A1PRSS1PRSS2 | |
| SCHEMBL18657304 | 0.77 | SIGMAR1 (0.60) | SIGMAR1S1PR5CYP2D6TP53CYP1A2 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11427598-B2 | Spiro-cyclic amine derivatives as S1P modulators | AbbVie Deutschland GmbH & Co. KG (DE) | 2022-08-30 | — | — | US | disclosed |
| US-20210130364-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | ABBVIE B.V. (NL) | 2021-05-06 | — | — | US | disclosed |
| US-10807991-B2 | Spiro-cyclic amine derivatives as S1P modulators | ABBVIE B.V. (NL) | 2020-10-20 | — | — | US | disclosed |
| US-20190218227-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | AbbVie Deutschland GmbH & Co. KG (DE) | 2019-07-18 | — | — | US | disclosed |
| US-10179791-B2 | Spiro-cyclic amine derivatives as S1P modulators | ABBVIE B.V. (NL) | 2019-01-15 | — | — | US | disclosed |
| US-9951084-B2 | Spiro-cyclic amine derivatives as S1P modulators | Abb Vie B.V. (NL) | 2018-04-24 | — | — | US | disclosed |
| EP-3144312-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | AbbVie B.V. (NL) | 2017-03-22 | — | — | EP | disclosed |
| EP-2590955-B9 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | ABBVIE BV (NL) | 2017-02-22 | — | — | EP | disclosed |
| US-20160340363-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | AbbVie Deutschland GmbH & Co. KG (DE) | 2016-11-24 | — | — | US | disclosed |
| EP-2590955-B1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | ABBVIE BV (NL) | 2016-10-12 | — | — | EP | disclosed |
| US-20130196998-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | ABBVIE B.V. (NL) | 2013-08-01 | — | — | US | disclosed |
| EP-2590955-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | ABBVIE B.V. (NL) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012004378-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | ABBOTT HEALTHCARE PRODUCTS B.V. (NL) | 2012-01-12 | — | — | 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 (7 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-11427598-B2 | Spiro-cyclic amine derivatives as S1P modulators | S1PR1, S1PR3, S1PR2 | SIGMAR1 151/4885S1PR5 4/4885CYP2D6 2268/4885 |
| US-20130196998-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | S1PR3, S1PR1, S1PR2 | SIGMAR1 152/4885S1PR5 5/4885CYP2D6 2188/4885 |
| US-20190218227-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | S1PR1, S1PR3, S1PR2 | SIGMAR1 140/4885S1PR5 4/4885CYP2D6 2231/4885 |
| US-10807991-B2 | Spiro-cyclic amine derivatives as S1P modulators | S1PR1, S1PR3, S1PR2 | SIGMAR1 151/4885S1PR5 4/4885CYP2D6 2268/4885 |
| US-20160340363-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | S1PR1, S1PR3, S1PR2 | SIGMAR1 140/4885S1PR5 4/4885CYP2D6 2231/4885 |
| US-10179791-B2 | Spiro-cyclic amine derivatives as S1P modulators | S1PR3, S1PR1, S1PR2 | SIGMAR1 152/4885S1PR5 5/4885CYP2D6 2188/4885 |
| US-20210130364-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | S1PR1, S1PR3, S1PR2 | SIGMAR1 151/4885S1PR5 4/4885CYP2D6 2268/4885 |
“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.