Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 1/20 | 0.37 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9830500 | 0.80 | KDM4E (0.39) | NPC1RAB9AALDH1A1NOTUMKMT2A | |
| SCHEMBL145646 | 0.79 | CYP3A4 (0.39) | NPC1RAB9AALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL9831669 | 0.77 | EGFR (0.49) | NPC1RAB9AALDH1A1NOTUMKMT2A | |
| SCHEMBL790942 | 0.76 | NOTUM (0.39) | NPC1RAB9AALDH1A1NPSR1NOTUM | |
| SCHEMBL3107538 | 0.74 | NOTUM (0.45) | NPC1RAB9AALDH1A1NPSR1NOTUM | |
| SCHEMBL9679598 | 0.72 | USP8 (0.38) | NPC1RAB9AALDH1A1NPSR1KMT2A | |
| SCHEMBL9676781 | 0.71 | S1PR4 (0.38) | KDM4EMAOB | |
| SCHEMBL10953805 | 0.68 | ALDH1A1 (0.48) | NPC1RAB9AALDH1A1NPSR1KMT2A | |
| SCHEMBL2615713 | 0.68 | ALDH1A1 (0.48) | NPC1RAB9AALDH1A1NPSR1NOTUM | |
| SCHEMBL10909232 | 0.68 | ALDH1A1 (0.57) | NPC1RAB9AALDH1A1NPSR1NOTUM |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8058475-B2 | Substituted cyclohexylmethyl compounds | GRUENENTHAL GMBH (DE) | 2011-11-15 | — | — | US | claimed |
| EP-1989174-B1 | SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES | GRUENENTHAL GMBH (DE) | 2011-08-03 | — | — | EP | claimed |
| US-20090286833-A1 | Substituted Cyclohexylmethyl Compounds | GRUENENTHAL GMBH (DE) | 2009-11-19 | — | — | US | claimed |
| JP-2009520720-A | — | — | 2009-05-28 | — | — | JP | claimed |
| EP-1989174-A1 | SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES | Grünenthal GmbH (DE) | 2008-11-12 | — | — | EP | claimed |
| WO-2007079930-A1 | SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES | Grünenthal GmbH (DE) | 2007-07-19 | — | — | WO | claimed |
| CN-1860114-A | Benzoxazinone-derived sulfonamide compounds, process for their preparation and their use as pharmaceuticals | ESTEVE LABOR DR (ES) | 2006-11-08 | — | — | CN | claimed |
| US-8058475-B2 | Substituted cyclohexylmethyl compounds | GRUENENTHAL GMBH (DE) | 2011-11-15 | — | — | US | disclosed |
| EP-1989174-B1 | SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES | GRUENENTHAL GMBH (DE) | 2011-08-03 | — | — | EP | disclosed |
| US-20090286833-A1 | Substituted Cyclohexylmethyl Compounds | GRUENENTHAL GMBH (DE) | 2009-11-19 | — | — | US | disclosed |
| US-7511145-B2 | Bicyclic heteroaryl derivatives | GENELABS TECHNOLOGIES, INC. (US) | 2009-03-31 | — | — | US | disclosed |
| US-20090081165-A1 | BICYCLIC HETEROARYL DERIVATIVES | GENELABS TECHNOLOGIES, INC. | 2009-03-26 | — | — | US | disclosed |
| EP-1989174-A1 | SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES | Grünenthal GmbH (DE) | 2008-11-12 | — | — | EP | disclosed |
| WO-2007079930-A1 | SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES | Grünenthal GmbH (DE) | 2007-07-19 | — | — | WO | disclosed |
| CN-1860114-A | Benzoxazinone-derived sulfonamide compounds, process for their preparation and their use as pharmaceuticals | ESTEVE LABOR DR (ES) | 2006-11-08 | — | — | CN | disclosed |
| WO-2003007955-A2 | BIPHENYL APURINIC/APYRIMIDINIC SITE ENDONUCLEASE INHIBITORS TO TREAT CANCER | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2003-01-30 | — | — | 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-20090081165-A1 | BICYCLIC HETEROARYL DERIVATIVES | HAVCR2, MAVS, ZC3HAV1 | NPC1 149/4885RAB9A 893/4885ALDH1A1 2299/4885 |
| US-20090286833-A1 | Substituted Cyclohexylmethyl Compounds | CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R | NPC1 112/4885RAB9A 905/4885ALDH1A1 1333/4885 |
“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.