Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.44 |
| ▸ | CHRNA5 | P30532 | 2/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2155431 | 0.78 | CYP2A6 (0.52) | RAB9ASMN1; SMN2ALDH1A1MAPTKDM4E | |
| SCHEMBL1422895 | 0.76 | CHRNB2 (0.73) | NPC1RAB9ACHRNB2CHRNA5CHRNA4 | |
| SCHEMBL3058306 | 0.76 | SMN1; SMN2 (0.69) | NPC1RAB9ASMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL12439730 | 0.76 | PTK2 (0.45) | NPC1RAB9ANR1H4CHRNB2CHRNA5 | |
| SCHEMBL4197856 | 0.74 | GRM5 (0.61) | NPC1RAB9ASMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL4207138 | 0.74 | L3MBTL1 (0.51) | NPC1RAB9ACHRNB2CHRNA5CHRNA4 | |
| SCHEMBL713159 | 0.74 | NR1H4 (0.78) | NPC1RAB9ANR1H4SMN1; SMN2TP53 | |
| SCHEMBL1423419 | 0.72 | CHRNB2 (0.69) | NPC1RAB9ANR1H4CHRNB2CHRNA5 | |
| SCHEMBL28788077 | 0.71 | NPC1 (0.55) | NPC1RAB9ANR1H4SMN1; SMN2TP53 | |
| SCHEMBL4179017 | 0.70 | GRM5 (0.71) | NPC1RAB9ASMN1; SMN2TP53ALDH1A1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8772336-B2 | Cathepsin cysteine protease inhibitors | MERCK FROSST CANADA LTD. (CA) | 2014-07-08 | — | — | US | disclosed |
| US-20130035312-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBIORS | AXYS PHARMACEUTICALS, INC. (US) | 2013-02-07 | — | — | US | disclosed |
| US-8318748-B2 | Cathepsin cysteine protease inhibitors | Merck, Sharp & Dohme Corp. (US) | 2012-11-27 | — | — | US | disclosed |
| US-20110230446-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2011-09-22 | — | — | US | disclosed |
| US-7973037-B2 | Cathepsin cysteine protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2011-07-05 | — | — | US | disclosed |
| CN-100430052-C | Cathepsin cysteine protease inhibitors | MERCK FROSST CANADA INC (CA) | 2008-11-05 | — | — | CN | disclosed |
| US-20080188529-A1 | N1-(cyanomethyl)-N2-(2,2,2-trifluoro-1-phenylethyl)-L-leucinamide; antiarthritic agent; osteoporosis and other bone loss disorders | MERCK CANADA INC. (CA) | 2008-08-07 | — | — | US | disclosed |
| EP-1482924-B1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA LTD (CA) | 2008-05-21 | — | — | EP | disclosed |
| US-7375134-B2 | N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders | AXYS PHARMACEUTICALS, INC. (US) | 2008-05-20 | — | — | US | disclosed |
| US-20050240023-A1 | N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders | MERCK CANADA INC. (CA) | 2005-10-27 | — | — | US | disclosed |
| CN-1638757-A | Cathepsin cysteine protease inhibitors | MERCK FROSST CANADA INC (CA) | 2005-07-13 | — | — | CN | 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 (4 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-20130035312-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBIORS | CTSB, CTSS, CTSZ | NPC1 697/4885RAB9A 584/4885NR1H4 2687/4885 |
| US-20110230446-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | CTSB, CTSS, CTSZ | NPC1 287/4885RAB9A 477/4885NR1H4 2422/4885 |
| US-20080188529-A1 | N1-(cyanomethyl)-N2-(2,2,2-trifluoro-1-phenylethyl)-L-leucinamide; antiarthritic agent; osteoporosis and other bone loss disorders | CTSE, CTSL, CTSK | NPC1 1247/4885RAB9A 2036/4885NR1H4 4193/4885 |
| US-20050240023-A1 | N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders | CTSE, CTSS, CTSB | NPC1 541/4885RAB9A 748/4885NR1H4 3113/4885 |
“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.