Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.52 |
| ▸ | CES1 | P23141 | 4/20 | 0.52 |
| ▸ | BCHE | P06276 | 1/20 | 0.52 |
| ▸ | KAT6A | Q92794 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | ALB | P02768 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL642844 | 0.83 | CES2 (0.48) | CES2CES1KAT6AHPGDGAA | |
| SCHEMBL6325405 | 0.80 | KAT6A (0.44) | CES2CES1KAT6AHDAC4ALDH1A1 | |
| SCHEMBL17063948 | 0.80 | ESR1 (0.41) | CES2CES1BCHEKAT6AHDAC4 | |
| SCHEMBL22396469 | 0.79 | ALB (0.44) | CES2CES1BCHEHPGDALB | |
| SCHEMBL17063968 | 0.76 | KAT6A (0.48) | KAT6AHPGDGAAALDH1A1HDAC8 | |
| SCHEMBL17063900 | 0.76 | NPC1 (0.41) | KAT6AGAAALDH1A1KMT2ARAB9A | |
| SCHEMBL642257 | 0.76 | CES2 (0.46) | CES2CES1HDAC4GAAMEN1 | |
| SCHEMBL5384443 | 0.75 | CES2 (0.63) | CES2CES1BCHEKAT6AHPGD | |
| Hydrochloric Acid SCHEMBL10434081 | 0.75 | CES2 (0.52) | CES2CES1BCHEKAT6AHPGD | |
| SCHEMBL10040477 | 0.74 | CES2 (0.56) | CES2CES1BCHEKAT6AHPGD |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2906553-B1 | OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES | IDORSIA PHARMACEUTICALS LTD (CH) | 2019-06-26 | — | — | EP | disclosed |
| EP-2250165-B1 | TRIAZOLE OXADIAZOLES DERIVATIVES | MERCK SERONO SA (CH) | 2018-07-25 | — | — | EP | disclosed |
| US-9493446-B2 | Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2016-11-15 | — | — | US | disclosed |
| US-20160022658-A1 | PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE | ABBVIE INC (US) | 2016-01-28 | — | — | US | disclosed |
| EP-2974727-A1 | PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE | Abbvie Inc. (US) | 2016-01-20 | — | — | EP | disclosed |
| US-9186407-B2 | Pharmaceutical compositions and their methods of use | ABBVIE INC. (US) | 2015-11-17 | — | — | US | disclosed |
| EP-2226074-B1 | Pharmaceutical compositions and their methods of use | ABBVIE INC (US) | 2015-11-04 | — | — | EP | disclosed |
| US-20150252032-A1 | OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES | IDORSIA PHARMACEUTICALS LTD (CH) | 2015-09-10 | — | — | US | disclosed |
| US-9040568-B2 | Pharmaceutical compositions for the treatment of pain | ABBVIE INC. (US) | 2015-05-26 | — | — | US | disclosed |
| US-8486979-B2 | Analgesics; central nervous system disorders; attentiondeficit disorders;cognition activators; bipolar disorders; Alzheimer's disease; Down's syndrome; brain disorders | ABBVIE INC. (US) | 2013-07-16 | — | — | US | disclosed |
| WO-2010138600-A2 | PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN | ABBOTT LABORATORIES (US) | 2010-12-02 | — | — | WO | disclosed |
| EP-2250165-A1 | TRIAZOLE OXADIAZOLES DERIVATIVES | Merck Serono S.A. (CH) | 2010-11-17 | — | — | EP | disclosed |
| EP-2227466-A2 | HETEROARYL-SUBSTITUTED PIPERIDINES | Bayer Schering Pharma Aktiengesellschaft (DE) | 2010-09-15 | — | — | EP | disclosed |
| EP-2226074-A2 | Pharmaceutical compositions and their methods of use | Abbott Laboratories (US) | 2010-09-08 | — | — | EP | disclosed |
| WO-2009148452-A1 | NOVEL 1,2,4 OXADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF | ABBOTT LABORATORIES (US) | 2009-12-10 | — | — | WO | disclosed |
| US-20090306139-A1 | HETEROARYL-SUBSTITUTED PIPERIDINES | BAYER HEALTHCARE AG (DE) | 2009-12-10 | — | — | US | disclosed |
| WO-2009080663-A1 | TRIAZOLE OXADIAZOLES DERIVATIVES | MERCK SERONO S.A. (CH) | 2009-07-02 | — | — | WO | disclosed |
| WO-2009068214-A2 | HETEROARYL-SUBSTITUTED PIPERIDINES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-06-04 | — | — | WO | disclosed |
| US-20080269236-A1 | Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof | ABBOTT LABORATORIES (US) | 2008-10-30 | — | — | US | disclosed |
| US-20080167286-A1 | Pharmaceutical compositions and their methods of use | ABBOTT LABORATORIES (US) | 2008-07-10 | — | — | 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 (5 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-20090306139-A1 | HETEROARYL-SUBSTITUTED PIPERIDINES | VHL, PIGO, PLIN3 | CES2 496/4885CES1 176/4885BCHE 3212/4885 |
| US-20150252032-A1 | OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES | HCRTR2, HCRTR1, OXTR | CES2 3325/4885CES1 1973/4885BCHE 2470/4885 |
| US-20080269236-A1 | Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof | OXA1L, CYP11B2, CYP1B1 | CES2 248/4885CES1 571/4885BCHE 2780/4885 |
| US-20080167286-A1 | Pharmaceutical compositions and their methods of use | CHRNA4, CHRNB4, CHRNA5 | CES2 959/4885CES1 2716/4885BCHE 455/4885 |
| US-20160022658-A1 | PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE | CHRNA4, CHRNB4, CHRNA5 | CES2 959/4885CES1 2716/4885BCHE 455/4885 |
“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.