Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 8/20 | 0.83 |
| ▸ | TSHR | P16473 | 4/20 | 0.82 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.82 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.82 |
| ▸ | MEN1 | O00255 | 1/20 | 0.82 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.82 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.82 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.82 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.69 |
| ▸ | KDM1A | O60341 | 1/20 | 0.64 |
| ▸ | MAOB | P27338 | 1/20 | 0.64 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27162018 | 0.98 | CYP2D6 (0.81) | CYP2D6TSHRALDH1A1CYP2C19MEN1 | |
| SCHEMBL1426593 | 0.91 | CYP2D6 (0.84) | CYP2D6TSHRALDH1A1CYP2C19MEN1 | |
| SCHEMBL13818182 | 0.91 | CYP2D6 (1.00) | CYP2D6TSHRALDH1A1CYP2C19MEN1 | |
| SCHEMBL4017996 | 0.90 | TSHR (1.00) | CYP2D6TSHRALDH1A1CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL3013775 | 0.89 | CYP2D6 (0.82) | CYP2D6TSHRALDH1A1CYP2C19MEN1 | |
| SCHEMBL27477853 | 0.88 | CYP2D6 (0.74) | CYP2D6TSHRALDH1A1CYP2C19MEN1 | |
| SCHEMBL1732446 | 0.88 | CYP2D6 (0.65) | CYP2D6TSHRALDH1A1CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL31717590 | 0.87 | CYP2D6 (0.72) | CYP2D6TSHRALDH1A1CYP2C19MEN1 | |
| SCHEMBL5243003 | 0.86 | CYP2D6 (0.67) | CYP2D6TSHRALDH1A1CYP2C19MEN1 | |
| SCHEMBL4292159 | 0.85 | CYP2D6 (0.76) | CYP2D6TSHRALDH1A1CYP2C19MEN1 |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3541381-B1 | INHIBITORS OF FACTOR XIIA | MERCK SHARP & DOHME LLC (US) | 2022-12-28 | — | — | EP | disclosed |
| US-9908897-B2 | Spirocyclic derivatives | CHRONOS THERAPEUTICS LIMITED (GB) | 2018-03-06 | — | — | US | disclosed |
| US-9908897-B2 | Spirocyclic derivatives | CHRONOS THERAPEUTICS LIMITED (GB) | 2018-03-06 | — | — | US | disclosed |
| US-20170253615-A1 | Spirocyclic derivatives | SHIRE INTERNATIONAL GMBH (CH) | 2017-09-07 | — | — | US | disclosed |
| US-20170253615-A1 | Spirocyclic derivatives | SHIRE INTERNATIONAL GMBH (CH) | 2017-09-07 | — | — | US | disclosed |
| US-20170253615-A1 | Spirocyclic derivatives | SHIRE INTERNATIONAL GMBH (CH) | 2017-09-07 | — | — | US | disclosed |
| EP-3201195-A1 | SPIROCYCLIC DERIVATIVES | Chronos Therapeutics Limited (GB) | 2017-08-09 | — | — | EP | disclosed |
| WO-2016042452-A1 | Spirocyclic derivatives | SHIRE INTERNATIONAL GMBH (CH) | 2016-03-24 | — | — | WO | disclosed |
| WO-2016042452-A1 | Spirocyclic derivatives | SHIRE INTERNATIONAL GMBH (CH) | 2016-03-24 | — | — | WO | disclosed |
| WO-2013148537-A1 | SUBSTITUTED SPIROBICYCLIC COMPOUNDS AND METHODS OF USE | XI NING (US) | 2013-10-03 | — | — | WO | disclosed |
| US-7612056-B2 | schizophrenia, emesis, anxiety and depression, irritable bowel syndrome (IBS), circadian rhythm disturbances, pre-eclampsia, nociception, neuropathic pain, pancreatitis, neurogenic inflammation, asthma, chronic obstructive pulmonary disease (COPD) and urinary incontinence | JENSSEN PHARMACEUTICA N.V. (BE) | 2009-11-03 | — | — | US | disclosed |
| US-7612056-B2 | schizophrenia, emesis, anxiety and depression, irritable bowel syndrome (IBS), circadian rhythm disturbances, pre-eclampsia, nociception, neuropathic pain, pancreatitis, neurogenic inflammation, asthma, chronic obstructive pulmonary disease (COPD) and urinary incontinence | JENSSEN PHARMACEUTICA N.V. (BE) | 2009-11-03 | — | — | US | disclosed |
| US-7435831-B2 | Bicyclic and bridged nitrogen heterocycles | CHEMOCENTRYX, INC. (US) | 2008-10-14 | — | — | US | disclosed |
| US-7435831-B2 | Bicyclic and bridged nitrogen heterocycles | CHEMOCENTRYX, INC. (US) | 2008-10-14 | — | — | US | disclosed |
| US-7435830-B2 | Bicyclic and bridged nitrogen heterocycles | CHEMOCENTRYX, INC. (US) | 2008-10-14 | — | — | US | disclosed |
| US-7435830-B2 | Bicyclic and bridged nitrogen heterocycles | CHEMOCENTRYX, INC. (US) | 2008-10-14 | — | — | US | disclosed |
| WO-2008060767-A2 | MACROCYCLIC BENZOFUSED PYRIMIDINE DERIVATIVES | ABBOTT LABORATORIES (US) | 2008-05-22 | — | — | WO | disclosed |
| US-20070254904-A1 | Substituted Diaza-Spiro-[4.5]-Decane Derivatives and Their Use as Neurokinin Antagonists | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-11-01 | — | — | US | disclosed |
| US-20070254904-A1 | Substituted Diaza-Spiro-[4.5]-Decane Derivatives and Their Use as Neurokinin Antagonists | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-11-01 | — | — | US | disclosed |
| WO-2007027734-A2 | BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES | CHEMOCENTRYX, INC. (US) | 2007-03-08 | — | — | 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 (2 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-20170253615-A1 | Spirocyclic derivatives | SLC6A3, SLC10A1, ABCB11 | CYP2D6 372/4885TSHR 340/4885ALDH1A1 549/4885 |
| US-20070254904-A1 | Substituted Diaza-Spiro-[4.5]-Decane Derivatives and Their Use as Neurokinin Antagonists | NPSR1, PROKR2, PROKR1 | CYP2D6 847/4885TSHR 1387/4885ALDH1A1 593/4885 |
“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.