SCHEMBL4823723

SCHEMBL4823723

CS(=O)(=O)OC[C@H]1CCc2ccccc2O1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.75
HTR1A P08908 5/20 0.44
SIGMAR1 Q99720 2/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
SLC6A4 P31645 1/20 0.43
HTR1D P28221 3/20 0.41
PTGDR Q13258 1/20 0.39

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL6346222 1.00 CA2 (0.75) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL5274616 0.86 CA2 (1.00) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL5102226 0.85 CA2 (0.55) CA2PTGDR
SCHEMBL7346088 0.84 CA2 (0.68) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL6348557 0.84 CA2 (0.68) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL4970970 0.84 CA2 (0.68) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL7635280 0.82 CA2 (0.70) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL8428871 0.82 CA2 (0.70) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL15898922 0.82 CA2 (0.52) CA2
SCHEMBL8426890 0.82 CA2 (0.70) CA2HTR1ASIGMAR1ADRA2AADRA2B

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-B8 (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES HAVING FUNDIC RELAXATION PROPERTIES JANSSEN PHARMACEUTICA NV (BE) 2006-11-15 EP 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
US-20050014818-A1 Process for producing optically active chroman derivative and intermediate KANEKA CORPORATION (JP) 2005-01-20 US disclosed
EP-1187831-B1 PYRROLIDINYL, PIPERIDINYL OR HOMOPIPERIDINYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2004-10-13 EP disclosed
EP-1445324-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMAN DERIVATIVE AND INTERMEDIATE KANEKA CORPORATION (JP) 2004-08-11 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
EP-1187831-A1 PYRROLIDINYL, PIPERIDINYL OR HOMOPIPERIDINYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-03-20 EP disclosed
WO-2000075137-A1 PYRROLIDINYL, PIPERIDINYL OR HOMOPIPERIDINYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-12-14 WO 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
EP-1036073-A1 (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES HAVING FUNDIC RELAXATION PROPERTIES JANSSEN PHARMACEUTICA N.V. (BE) 2000-09-20 EP disclosed
WO-1999029687-A1 (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES HAVING FUNDIC RELAXATION PROPERTIES JANSSEN PHARMACEUTICA N.V. (BE) 1999-06-17 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030149093-A1 (Benzodioxan, benzofuran or benzopyran) derivatives having fundic relaxation properties CBR1, CNR1, CNR2 CA2 62/4885HTR1A 85/4885SIGMAR1 581/4885
US-20050159406-A1 Pyrrolidinyl, piperidinyl or homopiperidinyl substituted (benzodioxan, benzofuran or benzopyran) derivatives HRH2, CBR1, CBR3 CA2 115/4885HTR1A 106/4885SIGMAR1 184/4885
US-20030083365-A1 (Benzodioxan, benzofuran or benzopyran) derivatives having fundic relaxation properties CBR1, CNR1, CNR2 CA2 53/4885HTR1A 90/4885SIGMAR1 589/4885
US-20050014818-A1 Process for producing optically active chroman derivative and intermediate CYP8B1, CYP3A43, HPD CA2 825/4885HTR1A 739/4885SIGMAR1 1763/4885

“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.