Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGBL2 | Q5U5Z8 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.44 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | P4HA1 | P13674 | 2/20 | 0.41 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.41 |
| ▸ | MIF | P14174 | 1/20 | 0.41 |
| ▸ | HCAR3 | P49019 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1424814 | 0.86 | HCAR3 (0.42) | AGBL2MEN1NPC1RAB9AKMT2A | |
| SCHEMBL15350918 | 0.85 | HCAR2 (0.48) | AGBL2MEN1KMT2ACYP2C9CYP2C19 | |
| SCHEMBL28088440 | 0.84 | AGBL2 (0.44) | AGBL2MEN1KMT2ACYP2C9CYP2C19 | |
| SCHEMBL28846202 | 0.84 | AGBL2 (0.44) | AGBL2MEN1KMT2ACYP2C9CYP2C19 | |
| SCHEMBL1424913 | 0.83 | NPC1 (0.46) | MEN1NPC1RAB9AKMT2ACYP2C9 | |
| Hydrochloric Acid SCHEMBL15350280 | 0.82 | AGBL2 (0.42) | AGBL2MEN1KMT2ACYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL1425105 | 0.81 | NPC1 (0.45) | MEN1NPC1RAB9AKMT2ACYP2C9 | |
| SCHEMBL19857480 | 0.81 | GABRP (0.46) | MEN1NPC1RAB9AKMT2ACYP2C9 | |
| SCHEMBL1179055 | 0.81 | HCAR3 (0.42) | AGBL2CYP2C9CYP2C19HCAR2MAPT | |
| SCHEMBL3374192 | 0.80 | RAB9A (0.44) | AGBL2MEN1NPC1RAB9AKMT2A |
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-8012998-B2 | Pyrrolidine aryl-ether as NK-3 receptor antagonists | Hoffmann—La Roche Inc. (US) | 2011-09-06 | — | — | US | disclosed |
| EP-2185540-B1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-07-20 | — | — | EP | disclosed |
| CN-101778837-A | Pyrrolidine aryl-ether as nk3 receptor antagonists | HOFFMANN LA ROCHE | 2010-07-14 | — | — | CN | disclosed |
| EP-2185540-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-05-19 | — | — | EP | disclosed |
| WO-2009019163-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-12 | — | — | WO | disclosed |
| US-20090042896-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-12 | — | — | 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-20090042896-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | OPRL1, OPRK1, OPRD1 | AGBL2 3916/4885MEN1 4841/4885NPC1 1394/4885 |
“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.