Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Batefenterol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 20/20 | 0.93 |
| ▸ | CHRM3 known ✓ | P20309 | 20/20 | 0.93 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.93 |
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 | |
|---|---|---|---|---|
| Batefenterol SCHEMBL384466 | 0.96 | ADRB2 (1.00) | ADRB2CHRM3CHRM2 | |
| Batefenterol SCHEMBL29372665 | 0.96 | ADRB2 (1.00) | ADRB2CHRM3CHRM2 | |
| Batefenterol SCHEMBL30299015 | 0.96 | ADRB2 (1.00) | ADRB2CHRM3CHRM2 | |
| Batefenterol SCHEMBL385358 | 0.96 | ADRB2 (1.00) | ADRB2CHRM3CHRM2 | |
| Batefenterol SCHEMBL384465 | 0.96 | ADRB2 (1.00) | ADRB2CHRM3CHRM2 | |
| Batefenterol SCHEMBL29380164 | 0.95 | ADRB2 (0.97) | ADRB2CHRM3CHRM2 | |
| Batefenterol SCHEMBL1999609 | 0.95 | ADRB2 (0.97) | ADRB2CHRM3CHRM2 | |
| SCHEMBL19173093 | 0.91 | ADRB2 (0.90) | ADRB2CHRM3CHRM2 | |
| SCHEMBL741252 | 0.90 | CHRM3 (1.00) | ADRB2CHRM3CHRM2 | |
| SCHEMBL827897 | 0.90 | ADRB2 (0.88) | ADRB2CHRM3CHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1778672-B1 | Crystalline form of a biphenyl compound | THERAVANCE INC (US) | 2012-12-19 | — | — | EP | claimed |
| US-8754223-B2 | Crystalline form of a biphenyl compound | THERAVANCE, INC. (US) | 2014-06-17 | — | — | US | disclosed |
| US-20130289281-A1 | CRYSTALLINE FORM OF A BIPHENYL COMPOUND | THERAVANCE, INC. (US) | 2013-10-31 | — | — | US | disclosed |
| US-8476299-B2 | Crystalline form of a biphenyl compound | THERAVANCE, INC. (US) | 2013-07-02 | — | — | US | disclosed |
| EP-1778672-B1 | Crystalline form of a biphenyl compound | THERAVANCE INC (US) | 2012-12-19 | — | — | EP | disclosed |
| US-20120283289-A1 | CRYSTALLINE FORM OF A BIPHENYL COMPOUND | THERAVANCE, INC. (US) | 2012-11-08 | — | — | US | disclosed |
| US-8101766-B2 | Crystalline form of a biphenyl compound | THERAVANCE, INC. (US) | 2012-01-24 | — | — | US | disclosed |
| US-20090221638-A1 | CRYSTALLINE FORM OF A BIPHENYL COMPOUND | THERAVANCE BIOPHARMA R&D IP, LLC | 2009-09-03 | — | — | US | disclosed |
| US-7521558-B2 | Crystalline form of a biphenyl compound | THERAVANCE, INC. (US) | 2009-04-21 | — | — | US | disclosed |
| EP-1778672-A1 | CRYSTALLINE FORM OF A BIPHENYL COMPOUND | Theravance, Inc. (US) | 2007-05-02 | — | — | EP | disclosed |
| WO-2006023454-A1 | CRYSTALLINE FORM OF A BIPHENYL COMPOUND | THERAVANCE, INC. (US) | 2006-03-02 | — | — | WO | disclosed |
| US-20060035931-A1 | Crystalline form of a biphenyl compound | THERAVANCE, INC. | 2006-02-16 | — | — | 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 (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-20060035931-A1 | Crystalline form of a biphenyl compound | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ALK, PKD2 | ADRB2 1162/4885CHRM3 1116/4885CHRM2 1039/4885 |
| US-20130289281-A1 | CRYSTALLINE FORM OF A BIPHENYL COMPOUND | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ALK, PKD2 | ADRB2 1162/4885CHRM3 1116/4885CHRM2 1039/4885 |
| US-20090221638-A1 | CRYSTALLINE FORM OF A BIPHENYL COMPOUND | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ALK, PKD2 | ADRB2 1162/4885CHRM3 1116/4885CHRM2 1039/4885 |
| US-20120283289-A1 | CRYSTALLINE FORM OF A BIPHENYL COMPOUND | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ALK, PKD2 | ADRB2 1162/4885CHRM3 1116/4885CHRM2 1039/4885 |
“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.