Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR known ✓ | P35968 | 2/20 | 0.34 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SGK1 | O00141 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 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 | |
|---|---|---|---|---|
| SCHEMBL28392208 | 1.00 | P2RX3 (0.40) | P2RX3PIM1HRH3KDRKDM4E | |
| SCHEMBL14730270 | 0.96 | P2RX3 (0.42) | P2RX3PIM1HRH3KDRKDM4E | |
| SCHEMBL1580224 | 0.96 | P2RX3 (0.42) | P2RX3PIM1HRH3KDRKDM4E | |
| Hydrochloric Acid SCHEMBL2174727 | 0.95 | P2RX3 (0.41) | P2RX3PIM1HRH3KDRKDM4E | |
| SCHEMBL14342947 | 0.87 | GRIK1 (0.43) | HRH3KDM4EKMT2ANPC1RAB9A | |
| SCHEMBL29991757 | 0.87 | GRIK1 (0.43) | HRH3KDM4EKMT2ANPC1RAB9A | |
| Hydrochloric Acid SCHEMBL3046234 | 0.86 | GRIK1 (0.44) | HRH3KDM4EKMT2ANPC1RAB9A | |
| SCHEMBL22764131 | 0.86 | MAPT (0.41) | P2RX3PIM1HRH3KDRKDM4E | |
| SCHEMBL16077809 | 0.86 | P2RX3 (0.43) | P2RX3PIM1HRH3KDREGFR | |
| SCHEMBL16077797 | 0.84 | PIM1 (0.39) | P2RX3PIM1HRH3KDR |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9873707-B2 | Methods and intermediates for preparing macrolactams | MERCK SHARP & DOHME CORP. (US) | 2018-01-23 | — | — | US | disclosed |
| EP-2744336-B1 | PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS | MERCK SHARP & DOHME (US) | 2017-07-05 | — | — | EP | disclosed |
| US-20160251375-A1 | METHODS AND INTERMEDIATES FOR PREPARING MACROLACTAMS | MERCK SHARP & DOHME CORP. (US) | 2016-09-01 | — | — | US | disclosed |
| EP-3057926-A1 | METHODS AND INTERMEDIATES FOR PREPARING MACROLACTAMS | Merck Sharp & Dohme Corp. (US) | 2016-08-24 | — | — | EP | disclosed |
| US-9242917-B2 | Crystal forms of a HCV protease inhibitor | MERCK SHARP & DOHME LIMITED (GB) | 2016-01-26 | — | — | US | disclosed |
| US-9238604-B2 | Process and intermediates for preparing macrolactams | MERCK SHARP & DOHME CORP. (US) | 2016-01-19 | — | — | US | disclosed |
| WO-2015057611-A1 | METHODS AND INTERMEDIATES FOR PREPARING MACROLACTAMS | MERCK SHARP & DOHME CORP. (US) | 2015-04-23 | — | — | WO | disclosed |
| EP-2764866-A1 | Inhibitors of nedd8-activating enzyme | IP Gesellschaft für Management mbH (DE) | 2014-08-13 | — | — | EP | disclosed |
| US-20140206605-A1 | CRYSTAL FORMS OF A HCV PROTEASE INHIBITOR | MERCK SHARP & DOHME LLC | 2014-07-24 | — | — | US | disclosed |
| US-20140200343-A1 | PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS | MERCK SHARP & DOHME LLC | 2014-07-17 | — | — | US | disclosed |
| EP-2744336-A1 | PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS | Merck Sharp & Dohme Corp. (US) | 2014-06-25 | — | — | EP | disclosed |
| WO-2013028470-A1 | PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS | MERCK SHARP & DOHME CORP. (US) | 2013-02-28 | — | — | 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-20140206605-A1 | CRYSTAL FORMS OF A HCV PROTEASE INHIBITOR | SPINT2, CTSC, SERPINB1 | KDR 4730/4885EGFR 3569/4885P2RX3 4173/4885 |
| US-20140200343-A1 | PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS | EMG1, RCE1, CYP51A1 | KDR 4754/4885EGFR 4510/4885P2RX3 3892/4885 |
| US-20160251375-A1 | METHODS AND INTERMEDIATES FOR PREPARING MACROLACTAMS | EMG1, DPP8, OTUB1 | KDR 4777/4885EGFR 4570/4885P2RX3 3918/4885 |
“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.