SCHEMBL5723845

SCHEMBL5723845

NCCCNCCCN(Cc1ccccc1)CC1CCc2ccccc2O1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.43
HTR1D P28221 6/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CA2 P00918 1/20 0.41

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
SCHEMBL8044366 0.91 HTR1A (0.46) HTR1AHTR1DADRA2AADRA2BADRA2C
SCHEMBL8863957 0.90 HTR1A (0.46) HTR1AHTR1DADRA2AADRA2BADRA2C
SCHEMBL8863858 0.82 HTR1A (0.61) HTR1AHTR1D
SCHEMBL27350286 0.81 HTR1A (0.46) HTR1AADRA2AADRA2BADRA2CSIGMAR1
SCHEMBL8045703 0.80 ALDH1A1 (0.41)
SCHEMBL8878969 0.80 HTR1A (0.44) HTR1AHTR1DADRA2AADRA2BADRA2C
SCHEMBL8864552 0.79 HTR1A (0.60) HTR1AHTR1DADRA2AADRA2BADRA2C
SCHEMBL5723599 0.77 HTR1A (0.67) HTR1AHTR1DCA2
SCHEMBL8052466 0.77 HTR1A (0.46) HTR1AHTR1DADRA2AADRA2BADRA2C
SCHEMBL8052654 0.77 HTR1A (0.66) HTR1AHTR1DCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6852714-B2 (Benzodioxan, benzofuran or benzopyran) derivatives having fundic relaxation properties JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-08 US 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
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 (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.

PatentTitleText reads most aboutPredicted 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-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.