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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 7/20 | 0.45 |
| ▸ | HTR1D known ✓ | P28221 | 5/20 | 0.45 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.45 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.45 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.45 |
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.60 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4823736 | 1.00 | CA2 (0.60) | CA2HTR1AHTR1DSIGMAR1ADRA2A | |
| SCHEMBL30711484 | 0.89 | CA2 (0.55) | CA2HTR1AHTR1DSIGMAR1ADRA2A | |
| SCHEMBL5722925 | 0.89 | CA2 (0.55) | CA2HTR1AHTR1DSIGMAR1ADRA2A | |
| SCHEMBL936563 | 0.89 | CA2 (0.55) | CA2HTR1AHTR1DSIGMAR1ADRA2A | |
| SCHEMBL7346709 | 0.89 | CA2 (0.55) | CA2HTR1AHTR1DSIGMAR1ADRA2A | |
| SCHEMBL8864506 | 0.86 | CA2 (0.49) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| SCHEMBL4967517 | 0.81 | CA2 (0.75) | CA2HTR1AHTR1D | |
| SCHEMBL7145238 | 0.80 | CA2 (0.46) | CA2HTR1AHTR1DSIGMAR1ADRA2A | |
| SCHEMBL4823723 | 0.78 | CA2 (0.75) | CA2HTR1AHTR1DSIGMAR1ADRA2A | |
| SCHEMBL6346222 | 0.78 | CA2 (0.75) | CA2HTR1AHTR1DSIGMAR1ADRA2A |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7358239-B2 | Pyrrolidinyl, piperidinyl or homopiperidinyl substituted (benzodioxan, benzofuran or benzopyran) derivatives | JANSSEN PHARMACEUTICA, N.V. (BE) | 2008-04-15 | — | — | US | disclosed |
| EP-1036073-B1 | (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES HAVING FUNDIC RELAXATION PROPERTIES | JANSSEN PHARMACEUTICA NV (BE) | 2006-07-26 | — | — | EP | disclosed |
| US-20050159406-A1 | Pyrrolidinyl, piperidinyl or homopiperidinyl substituted (benzodioxan, benzofuran or benzopyran) derivatives | DE BRUYN MARCEL F L (BE) | 2005-07-21 | — | — | US | disclosed |
| US-6900222-B1 | Pyrrolidinyl, piperdinyl or homopiperidinyl substituted (benzodioxan, benzofuran or benzopyran) derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-05-31 | — | — | US | disclosed |
| US-6852714-B2 | (Benzodioxan, benzofuran or benzopyran) derivatives having fundic relaxation properties | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-02-08 | — | — | US | disclosed |
| EP-1187831-B1 | PYRROLIDINYL, PIPERIDINYL OR HOMOPIPERIDINYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2004-10-13 | — | — | EP | disclosed |
| US-6747045-B2 | SUCH AS 1-(3-(((3,4-DIHYDRO-2H-1-BENZOPYRAN-2-YL)METHYL) AMINO)-PROPYL)TETRAHYDRO-2(1H)-PYRIMIDINONE FOR TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER GASTROINTESTINAL DISORDERS | JANSSEN PHARMACEUTICA N.V. (BE) | 2004-06-08 | — | — | US | disclosed |
| US-20030149093-A1 | (Benzodioxan, benzofuran or benzopyran) derivatives having fundic relaxation properties | JANSSEN PHARMACEUTICA NV (BE) | 2003-08-07 | — | — | US | disclosed |
| US-20030083365-A1 | (Benzodioxan, benzofuran or benzopyran) derivatives having fundic relaxation properties | JANSSEN PHARMACEUTICA NV (BE) | 2003-05-01 | — | — | US | disclosed |
| US-6495547-B1 | HAMPERED OR IMPAIRED RELAXATION OF THE FUNDUS TO FOOD INGESTION; IRRITABLE BOWEL SYNDROME, ANOREXIA, BLOATING, EARLY SATIETY, DYSPEPSIA | JANSSEN PHARMACEUTICA, N.V. (BE) | 2002-12-17 | — | — | US | disclosed |
| US-6133277-A | LITTLE OR NO VASOCONSTRICTOR ACTIVITY; GASTROINTESTINAL DISORDERS, E.G. DYSPEPSIA, EARLY SATIETY, BLOATING AND ANOREXIA; 1-(3-((3,4-DIHYDRO-2H-1-BENZOPYRAN-2-YL)METHYL)-AMINO)-PROPYL)-TETRAHYDRO -2(1H)-PRIMIDINONE | JANSSEN PHARMACEUTICA N.V. (BE) | 2000-10-17 | — | — | 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 (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-20030149093-A1 | (Benzodioxan, benzofuran or benzopyran) derivatives having fundic relaxation properties | CBR1, CNR1, CNR2 | HTR1A 85/4885HTR1D 12/4885ADRA2A 89/4885 |
| US-20050159406-A1 | Pyrrolidinyl, piperidinyl or homopiperidinyl substituted (benzodioxan, benzofuran or benzopyran) derivatives | HRH2, CBR1, CBR3 | HTR1A 106/4885HTR1D 47/4885ADRA2A 158/4885 |
| US-20030083365-A1 | (Benzodioxan, benzofuran or benzopyran) derivatives having fundic relaxation properties | CBR1, CNR1, CNR2 | HTR1A 90/4885HTR1D 11/4885ADRA2A 89/4885 |
“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.