SCHEMBL3739306

SCHEMBL3739306

CC(=O)N1CCN(Cc2cccc(CNC(=O)Nc3ccc(C)nc3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.47
AOC3 Q16853 1/20 0.47
NAMPT P43490 5/20 0.45
FAAH O00519 2/20 0.44
ACKR3 P25106 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
GFER P55789 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
KDR P35968 1/20 0.42
ROCK2 O75116 1/20 0.42

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
SCHEMBL3739030 0.90 CYP3A4 (0.44) CHRM3NAMPTFAAHACKR3ROCK2
SCHEMBL3730882 0.90 AOC3 (0.49) AOC3NAMPTGFERHTR1AHTR1D
SCHEMBL3739034 0.90 NAMPT (0.44) NAMPTFAAHMEN1KMT2AATM
SCHEMBL3728897 0.87 KDR (0.47) NAMPTFAAHMEN1KMT2AATM
SCHEMBL3733689 0.87 GLS (0.48) NAMPTACKR3MEN1KMT2AROCK2
SCHEMBL3736394 0.87 NAMPT (0.45) AOC3NAMPTMEN1KMT2AATM
SCHEMBL3736931 0.87 MEN1 (0.44) NAMPTFAAHMEN1KMT2AATM
SCHEMBL3734204 0.87 NAMPT (0.49) CHRM3NAMPT
SCHEMBL3728465 0.85 MEN1 (0.43) AOC3NAMPTFAAHMEN1KMT2A
SCHEMBL3737941 0.85 NAMPT (0.46) NAMPTMEN1KMT2AATMROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825120-B2 Certain substituted ((piperazin-1-ylmethyl)benzyl)ureas CYTOKINETICS, INC. (US) 2010-11-02 US claimed
US-20070197504-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US claimed
US-7825120-B2 Certain substituted ((piperazin-1-ylmethyl)benzyl)ureas CYTOKINETICS, INC. (US) 2010-11-02 US disclosed
EP-1959963-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
US-20070197504-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
WO-2007089336-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-08-09 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 (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-20070197504-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 CHRM3 113/4885AOC3 2027/4885NAMPT 3645/4885

“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.