Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | TDO2 | P48775 | 2/20 | 0.35 |
| ▸ | TACR1 | P25103 | 4/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | ACP1 | P24666 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | HTR2C | P28335 | 2/20 | 0.31 |
| ▸ | HTR2B | P41595 | 2/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | TACR3 | P29371 | 1/20 | 0.31 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.30 |
| ▸ | PDE2A | O00408 | 3/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3588498 | 1.00 | NOTUM (0.42) | NOTUMIDO1TDO2TACR1P2RX7 | |
| SCHEMBL1649435 | 0.87 | TACR1 (0.40) | IDO1TDO2TACR1P2RX7HTR2C | |
| SCHEMBL8700783 | 0.87 | TACR1 (0.40) | IDO1TDO2TACR1P2RX7HTR2C | |
| SCHEMBL264836 | 0.87 | TACR1 (0.40) | IDO1TDO2TACR1P2RX7HTR2C | |
| SCHEMBL13349992 | 0.86 | NOTUM (0.43) | NOTUMIDO1TDO2TACR1ACP1 | |
| SCHEMBL29927570 | 0.86 | NOTUM (0.43) | NOTUMIDO1TDO2TACR1ACP1 | |
| SCHEMBL16950402 | 0.82 | NOTUM (0.41) | NOTUMIDO1TDO2TACR1ACP1 | |
| SCHEMBL3584815 | 0.82 | NOTUM (0.45) | NOTUMIDO1TDO2TACR1ACP1 | |
| SCHEMBL19265377 | 0.82 | NOTUM (0.41) | NOTUMIDO1TDO2TACR1ACP1 | |
| SCHEMBL631573 | 0.82 | NOTUM (0.45) | NOTUMIDO1TDO2TACR1ACP1 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8383821-B2 | NK-1 and serotonin transporter inhibitors | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2013-02-26 | — | — | US | disclosed |
| US-8383821-B2 | NK-1 and serotonin transporter inhibitors | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2013-02-26 | — | — | US | disclosed |
| US-8383821-B2 | NK-1 and serotonin transporter inhibitors | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2013-02-26 | — | — | US | disclosed |
| US-20100087434-A1 | NK-1 and Serotonin Transporter Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2010-04-08 | — | — | US | disclosed |
| US-20100087434-A1 | NK-1 and Serotonin Transporter Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2010-04-08 | — | — | US | disclosed |
| US-20100087434-A1 | NK-1 and Serotonin Transporter Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2010-04-08 | — | — | US | disclosed |
| US-7632861-B2 | 1-Isobenzofuranethanamine, 1-[[[3,5-bis(trifluoromethyl)phenyl]methoxy]methyl]-1,3-dihydro-N,N-dimethyl-; use in treating a disorder associated with aberrant levels of tachykinins or serotonin; nerve system disorders | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-12-15 | — | — | US | disclosed |
| US-7632861-B2 | 1-Isobenzofuranethanamine, 1-[[[3,5-bis(trifluoromethyl)phenyl]methoxy]methyl]-1,3-dihydro-N,N-dimethyl-; use in treating a disorder associated with aberrant levels of tachykinins or serotonin; nerve system disorders | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-12-15 | — | — | US | disclosed |
| US-7632861-B2 | 1-Isobenzofuranethanamine, 1-[[[3,5-bis(trifluoromethyl)phenyl]methoxy]methyl]-1,3-dihydro-N,N-dimethyl-; use in treating a disorder associated with aberrant levels of tachykinins or serotonin; nerve system disorders | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-12-15 | — | — | US | disclosed |
| WO-2009064684-A1 | SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-05-22 | — | — | WO | disclosed |
| US-20090124613-A1 | Substituted Heterocyclic Ethers and Their Use in CNS Disorders | BRISTOL-MYERS SQUIBB COMPANY | 2009-05-14 | — | — | US | disclosed |
| US-20090124613-A1 | Substituted Heterocyclic Ethers and Their Use in CNS Disorders | BRISTOL-MYERS SQUIBB COMPANY | 2009-05-14 | — | — | US | disclosed |
| US-20090124613-A1 | Substituted Heterocyclic Ethers and Their Use in CNS Disorders | BRISTOL-MYERS SQUIBB COMPANY | 2009-05-14 | — | — | US | disclosed |
| US-20070249607-A1 | NK-1 AND SEROTONIN TRANSPORTER INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2007-10-25 | — | — | US | disclosed |
| US-20070249607-A1 | NK-1 AND SEROTONIN TRANSPORTER INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2007-10-25 | — | — | US | disclosed |
| US-20070249607-A1 | NK-1 AND SEROTONIN TRANSPORTER INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2007-10-25 | — | — | US | disclosed |
| WO-2007121389-A2 | 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AS NK-I AND SEROTONIN TRANSPORTER INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-10-25 | — | — | 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 (3 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-20100087434-A1 | NK-1 and Serotonin Transporter Inhibitors | SLC6A4, TPH1, SLC6A2 | NOTUM 4726/4885IDO1 135/4885TDO2 739/4885 |
| US-20070249607-A1 | NK-1 AND SEROTONIN TRANSPORTER INHIBITORS | SLC6A4, TPH1, SLC6A2 | NOTUM 4726/4885IDO1 135/4885TDO2 739/4885 |
| US-20090124613-A1 | Substituted Heterocyclic Ethers and Their Use in CNS Disorders | CNR1, CNR2, PMP22 | NOTUM 2417/4885IDO1 2271/4885TDO2 2630/4885 |
“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.