SCHEMBL4133763

SCHEMBL4133763

N#CCc1ccc2c(c1)OCCC2

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.46

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
SCHEMBL29790987 1.00 KCNH2 (0.46) KCNH2
SCHEMBL15800504 0.97 KCNH2 (0.43) KCNH2
SCHEMBL3642604 0.90 CHRM2 (0.47) KCNH2
SCHEMBL4133761 0.87 CTNNB1 (0.43)
SCHEMBL24502844 0.84 KCNH2 (0.44) KCNH2
SCHEMBL17030555 0.84 CTNNB1 (0.40)
SCHEMBL10157959 0.78 KCNH2 (0.49) KCNH2
SCHEMBL31061889 0.78 KCNH2 (0.49) KCNH2
SCHEMBL14079587 0.78 KCNH2 (0.46) KCNH2
SCHEMBL28841074 0.78 KCNH2 (0.46) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 US disclosed
US-7199244-B2 Cyclic amine derivatives and methods of use AMGEN (US) 2007-04-03 US disclosed
EP-1633743-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATION-RELATED DISORDERS MEDIATED BY BRADYKININ Amgen, Inc. (US) 2006-03-15 EP disclosed
EP-1631542-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF Amgen, Inc. (US) 2006-03-08 EP disclosed
US-20050234044-A1 Cyclic amine derivatives and methods of use AMGEN INC. 2005-10-20 US disclosed
US-20050124654-A1 Compounds and methods of use AMGEN INC. 2005-06-09 US disclosed
WO-2004092116-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF AMGEN, INC. (US) 2004-10-28 WO disclosed
WO-2004092164-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATION-RELATED DISORDERS MEDIATED BY BRADYKININ AMGEN, INC. (US) 2004-10-28 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-20050124654-A1 Compounds and methods of use LTC4S, PTGES, LTB4R2 KCNH2 2702/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 KCNH2 2702/4885
US-20050234044-A1 Cyclic amine derivatives and methods of use PTGIS, BDKRB2, LTC4S KCNH2 1601/4885

“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.