SCHEMBL1668564

SCHEMBL1668564

CC(C)(C)OC(=O)NCc1ccccc1C1CCCNC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.41
KCNA5 P22460 1/20 0.41
PRMT5 O14744 5/20 0.40
WDR77 Q9BQA1 5/20 0.40
NAAA Q02083 1/20 0.40
HTR2A P28223 1/20 0.40
IKBKB O14920 3/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
NAMPT P43490 1/20 0.38
CHUK O15111 1/20 0.37
CSF1R P07333 1/20 0.37
BTK Q06187 1/20 0.37

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
SCHEMBL12578590 0.84 KCNA5 (0.47) KDM4AKCNA5NAMPT
SCHEMBL1668565 0.81 JAK3 (0.48) NAMPT
SCHEMBL14907991 0.78 HPGDS (0.47) KCNA5PRMT5WDR77NAMPT
SCHEMBL12284513 0.76 HTR2A (0.47) NAAAHTR2AIKBKBSLC6A2SLC6A4
SCHEMBL27747024 0.76 HTR2A (0.47) NAAAHTR2AIKBKBSLC6A2SLC6A4
SCHEMBL17303812 0.75 HTR2A (0.56) HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL19170763 0.75 HTR2A (0.56) HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL16417582 0.75 HTR2A (0.56) HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL30159605 0.75 KCNA5 (0.56) KDM4AKCNA5NAMPT
SCHEMBL8018113 0.75 KCNA5 (0.56) KDM4AKCNA5NAMPT

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-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 US disclosed
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 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 (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-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM MYOF, FTH1, HCCS KDM4A 4151/4885KCNA5 4598/4885PRMT5 3114/4885

“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.