SCHEMBL105646

SCHEMBL105646

CC1CN(C(=O)OC(C)(C)C)C(C)CN1Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.65
PDK2 Q15119 2/20 0.65
PDK3 Q15120 2/20 0.65
PDK4 Q16654 2/20 0.65
MAPK14 Q16539 3/20 0.50
MAPT P10636 1/20 0.50
GPR119 Q8TDV5 2/20 0.44
TBK1 Q9UHD2 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
CCR1 P32246 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
STS P08842 1/20 0.41

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
SCHEMBL105647 1.00 PDK1 (0.65) PDK1PDK2PDK3PDK4MAPK14
SCHEMBL13810588 1.00 PDK1 (0.65) PDK1PDK2PDK3PDK4MAPK14
SCHEMBL107382 1.00 PDK1 (0.65) PDK1PDK2PDK3PDK4MAPK14
SCHEMBL30294995 0.94 PDK1 (0.58) PDK1PDK2PDK3PDK4MAPK14
SCHEMBL25482534 0.89 PDK1 (0.52) PDK1PDK2PDK3PDK4MAPK14
SCHEMBL21563560 0.89 PDK1 (0.52) PDK1PDK2PDK3PDK4MAPK14
SCHEMBL13732893 0.89 PDK1 (0.52) PDK1PDK2PDK3PDK4MAPK14
SCHEMBL21563420 0.89 PDK1 (0.52) PDK1PDK2PDK3PDK4MAPK14
SCHEMBL21563422 0.89 PDK1 (0.52) PDK1PDK2PDK3PDK4MAPK14
SCHEMBL13731232 0.89 PDK1 (0.52) PDK1PDK2PDK3PDK4MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 US disclosed
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 PDK1 3459/4885PDK2 2979/4885PDK3 3455/4885

“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.