SCHEMBL4279130

SCHEMBL4279130

CC(C)(C)[C@@H]1C(Oc2cc(N)cc(F)c2)CCN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.36
FFAR4 Q5NUL3 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
KCNH2 Q12809 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL4279118 1.00 CHRM3 (0.36) CHRM3FFAR4OPRM1OPRK1KCNH2
SCHEMBL28059288 0.82 OPRK1 (0.38) CHRM3OPRK1KCNH2
SCHEMBL4278824 0.82 ALDH1A1 (0.33) CHRM3KMT2A
SCHEMBL4278833 0.82 ALDH1A1 (0.33) CHRM3KMT2A
SCHEMBL28826953 0.76 POLB (0.40) CHRM3OPRK1KCNH2
SCHEMBL4102370 0.74 RBP4 (0.38) KMT2A
SCHEMBL28719773 0.71 GPR119 (0.34) OPRM1OPRK1KCNH2
SCHEMBL28719770 0.71 GPR119 (0.34) OPRM1OPRK1KCNH2
SCHEMBL20658831 0.71 TSHR (0.38) CHRM3OPRM1OPRK1KCNH2
SCHEMBL21747197 0.71 DPP4 (0.32)

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
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 US disclosed
EP-1615878-A4 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2007-09-19 EP disclosed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US disclosed
EP-1615878-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2006-01-18 EP disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 US disclosed
WO-2004064730-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2004-08-05 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-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 CHRM3 166/4885FFAR4 4620/4885OPRM1 2271/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 CHRM3 204/4885FFAR4 4595/4885OPRM1 2568/4885

“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.