Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SCN1A | P35498 | 2/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.36 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 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 | |
|---|---|---|---|---|
| SCHEMBL971316 | 0.89 | HTR2A (0.37) | HTR1BCYP1A2CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL28869124 | 0.81 | KDM4E (0.38) | ALDH1A1HSD17B10KDM4ETSHRTLR8 | |
| SCHEMBL16684493 | 0.81 | MAPT (0.43) | TDP1TLR8 | |
| SCHEMBL6002752 | 0.81 | MAPT (0.30) | ALDH1A1HSD17B10TSHRTDP1 | |
| SCHEMBL9739681 | 0.80 | HTR2A (0.43) | HTR1BALDH1A1HSD17B10KDM4ECYP3A4 | |
| SCHEMBL10596740 | 0.80 | KDM4E (0.40) | ALDH1A1HSD17B10KDM4ETSHRTLR8 | |
| SCHEMBL2090532 | 0.80 | MAPT (0.33) | ALDH1A1TDP1 | |
| SCHEMBL2088776 | 0.79 | MAPT (0.35) | ALDH1A1CYP3A4TDP1 | |
| SCHEMBL16684497 | 0.79 | MAPT (0.51) | HSD17B10TSHRSMN1; SMN2TLR8 | |
| SCHEMBL2961433 | 0.77 | TDP1 (0.37) | HTR1BCYP1A2CYP2C19ALDH1A1HSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| WO-2009064684-A1 | SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-05-22 | — | — | WO | claimed |
| US-20090124613-A1 | Substituted Heterocyclic Ethers and Their Use in CNS Disorders | BRISTOL-MYERS SQUIBB COMPANY | 2009-05-14 | — | — | US | claimed |
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-20090124613-A1 | Substituted Heterocyclic Ethers and Their Use in CNS Disorders | CNR1, CNR2, PMP22 | HTR1B 179/4885CYP1A2 6/4885CYP2C19 22/4885 |
“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.