SCHEMBL9235484

SCHEMBL9235484

O=[N+]([O-])c1ccc(CCN2CCC(O)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 12/20 0.74
KCNH2 Q12809 11/20 0.74
HRH3 Q9Y5N1 2/20 0.70
HTR2A P28223 2/20 0.62
SIGMAR1 Q99720 1/20 0.60
MAOA P21397 1/20 0.58
SPHK1 Q9NYA1 1/20 0.56

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
SCHEMBL9235499 0.92 KCNJ1 (0.66) KCNJ1KCNH2HRH3HTR2ASIGMAR1
SCHEMBL2731306 0.86 KCNJ1 (1.00) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL5151630 0.86 KCNJ1 (0.70) KCNJ1KCNH2HRH3HTR2ASIGMAR1
SCHEMBL3159579 0.85 KDM4E (0.67) KCNJ1SIGMAR1
SCHEMBL14786379 0.85 HTR2A (0.72) KCNJ1KCNH2HRH3HTR2ASIGMAR1
SCHEMBL14785737 0.84 KCNJ1 (0.72) KCNJ1KCNH2HRH3HTR2ASIGMAR1
SCHEMBL9234853 0.83 HRH3 (0.68) KCNJ1KCNH2HRH3HTR2ASIGMAR1
SCHEMBL1405964 0.83 KCNJ1 (0.70) KCNJ1KCNH2HRH3HTR2ASIGMAR1
SCHEMBL5653299 0.83 HRH3 (0.93) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL3156895 0.83 HRH3 (1.00) KCNJ1KCNH2HRH3SIGMAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
WO-2007018941-A2 PYRIMIDYL-THIOPHENE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
EP-0649838-A1 N-phenylalkyl/phenoxyalkyl-azetidine/pyrrozidinel piperidine/hexahydroazepine derivatives as antiarrhythmic agents MERCK PATENT GmbH (DE) 1995-04-26 EP 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 (1 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-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. AURKA, AURKC, AURKB KCNJ1 1906/4885KCNH2 3087/4885HRH3 764/4885

“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.