Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.41 |
| ▸ | CCR2 | P41597 | 6/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6857579 | 1.00 | SIGMAR1 (0.41) | SIGMAR1CCR2OPRK1NPC1CYP1A2 | |
| SCHEMBL6859020 | 1.00 | SIGMAR1 (0.41) | SIGMAR1CCR2OPRK1NPC1CYP1A2 | |
| SCHEMBL6857578 | 1.00 | SIGMAR1 (0.41) | SIGMAR1CCR2OPRK1NPC1CYP1A2 | |
| SCHEMBL7414359 | 0.86 | HRH3 (0.44) | SIGMAR1 | |
| SCHEMBL7414355 | 0.86 | HRH3 (0.44) | SIGMAR1 | |
| SCHEMBL7414542 | 0.84 | DRD2 (0.42) | CYP2D6KCNH2 | |
| SCHEMBL7414536 | 0.84 | DRD2 (0.42) | CYP2D6KCNH2 | |
| SCHEMBL7422060 | 0.81 | HTR2A (0.37) | SIGMAR1SLC6A3SLC6A4 | |
| SCHEMBL7414389 | 0.81 | MAOB (0.35) | SIGMAR1NPC1 | |
| SCHEMBL7414398 | 0.81 | MAOB (0.35) | SIGMAR1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1138327-A1 | Use of 2-(arylalkenyl)azacycloalkanes derivatives for treating stress-related gastrointestinal disorders | WARNER-LAMBERT COMPANY (US) | 2001-10-04 | — | — | EP | claimed |
| US-6787563-B2 | ANTIDIARRHEA AGENTS; GASTROINTESTINAL DISORDERS | PFIZER INC. | 2004-09-07 | — | — | US | disclosed |
| US-20030139448-A1 | N-(cyclopropylmethyl)azacycloalkanes, compositions containing them and methods of preparation | WARNER-LAMBERT COMPANY | 2003-07-24 | — | — | US | disclosed |
| EP-1321461-A1 | N-(Cyclopropylmethyl)-azacycloalkanes, compositions containing them and methods for their preparation | Warner-Lambert Company LLC (US) | 2003-06-25 | — | — | EP | disclosed |
| EP-1138327-A1 | Use of 2-(arylalkenyl)azacycloalkanes derivatives for treating stress-related gastrointestinal disorders | WARNER-LAMBERT COMPANY (US) | 2001-10-04 | — | — | EP | disclosed |
| EP-1138327-A1 | Use of 2-(arylalkenyl)azacycloalkanes derivatives for treating stress-related gastrointestinal disorders | WARNER-LAMBERT COMPANY (US) | 2001-10-04 | — | — | 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 (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-20030139448-A1 | N-(cyclopropylmethyl)azacycloalkanes, compositions containing them and methods of preparation | DNMT1, TPMT, AZI2 | SIGMAR1 142/4885CCR2 2700/4885OPRK1 35/4885 |
“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.