SCHEMBL4933435

SCHEMBL4933435

CC(C)n1nc(C(=O)NCCN2CCC(NC(=O)[C]3CCCCCCC3)CC2)c2ccccc21.[CH2].[CH2]

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 20/20 0.67
KCNH2 Q12809 4/20 0.60
HTR2A P28223 5/20 0.58

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
SCHEMBL7395608 0.89 HTR4 (0.72) HTR4KCNH2HTR2A
SCHEMBL9055122 0.88 HTR4 (0.73) HTR4KCNH2HTR2A
Oxalic Acid SCHEMBL7392734 0.86 HTR4 (0.77) HTR4KCNH2HTR2A
Oxalic Acid SCHEMBL7394778 0.86 HTR4 (0.77) HTR4KCNH2HTR2A
SCHEMBL7561756 0.86 HTR4 (0.76) HTR4KCNH2HTR2A
Oxalic Acid SCHEMBL7393972 0.86 HTR4 (0.75) HTR4KCNH2HTR2A
Oxalic Acid SCHEMBL7396297 0.85 HTR4 (0.74) HTR4KCNH2HTR2A
Hydrochloric Acid SCHEMBL7394154 0.85 HTR4 (0.66) HTR4KCNH2HTR2A
Oxalic Acid SCHEMBL8056984 0.85 HTR4 (0.80) HTR4KCNH2HTR2A
SCHEMBL4923894 0.84 HTR4 (0.63) HTR4KCNH2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311295-A2 USE OF 5HT4 RECEPTOR ANTAGONISTS IN THE MANUFACTURE OF A MEDICAMENT FOR THE PROPHYLAXIS OR TREATMENT OF ATRIAL FIBRILLATION Laboratoire Glaxosmithkline S.A.S. (FR) 2003-05-21 EP claimed
WO-2002011766-A2 USE OF 5HT4 RECEPTOR ANTAGONISTS IN THE MANUFACTURE OF A MEDICAMENT FOR THE PROPHYLAXIS OR TREATMENT OF ATRIAL FIBRILLATION LABORATOIRE GLAXOSMITHKLINE S.A.S. (FR) 2002-02-14 WO claimed
US-20080125422-A1 USE OF 5HT4 RECEPTOR ANTAGONISTS IN THE PROPHYLAXIS OR TREATMENT OF CERTAIN CARDIOVASCULAR CONDITIONS LABORATOIRE GLAXOSMITHKLINE S A S 2008-05-29 US disclosed
US-20070015769-A1 USE OF 5HT4 RECEPTOR ANTAGONISTS IN THE PROPHYLAXIS OR TREATMENT OF CERTAIN CARDIOVASCULAR CONDITIONS LABORATOIRE GLAXOSMITHKLINE S.A.S. 2007-01-18 US disclosed
US-20050032866-A1 The use of 5ht4 receptor antagonists in the prophylaxis or treatment of certain cardiovascular conditions GLAXO GROUP LIMITED (GB) 2005-02-10 US disclosed
EP-1311295-A2 USE OF 5HT4 RECEPTOR ANTAGONISTS IN THE MANUFACTURE OF A MEDICAMENT FOR THE PROPHYLAXIS OR TREATMENT OF ATRIAL FIBRILLATION Laboratoire Glaxosmithkline S.A.S. (FR) 2003-05-21 EP disclosed
WO-2002011766-A2 USE OF 5HT4 RECEPTOR ANTAGONISTS IN THE MANUFACTURE OF A MEDICAMENT FOR THE PROPHYLAXIS OR TREATMENT OF ATRIAL FIBRILLATION LABORATOIRE GLAXOSMITHKLINE S.A.S. (FR) 2002-02-14 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080125422-A1 USE OF 5HT4 RECEPTOR ANTAGONISTS IN THE PROPHYLAXIS OR TREATMENT OF CERTAIN CARDIOVASCULAR CONDITIONS HTR4, TPH1, HTR1A HTR4 1/4885KCNH2 421/4885HTR2A 17/4885
US-20050032866-A1 The use of 5ht4 receptor antagonists in the prophylaxis or treatment of certain cardiovascular conditions HTR4, HTR1A, TPH1 HTR4 1/4885KCNH2 415/4885HTR2A 16/4885
US-20070015769-A1 USE OF 5HT4 RECEPTOR ANTAGONISTS IN THE PROPHYLAXIS OR TREATMENT OF CERTAIN CARDIOVASCULAR CONDITIONS HTR4, HTR1A, TPH1 HTR4 1/4885KCNH2 414/4885HTR2A 17/4885

“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.