SCHEMBL4338080

SCHEMBL4338080

CCN(C(=O)OC(C)(C)C)C1CCN(c2ccc(N=C=S)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX12 P18054 1/20 0.40
CCR5 P51681 1/20 0.40
HSD11B1 P28845 1/20 0.37
GPR119 Q8TDV5 11/20 0.36
MCHR1 Q99705 1/20 0.36
NOTUM Q6P988 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL4339049 0.94 TP53 (0.41) TP53CYP1A2CYP3A4CYP2D6ALOX12
SCHEMBL4349234 0.83 CCR5 (0.44) CCR5HSD11B1GPR119MCHR1
SCHEMBL13785109 0.81 CCR5 (0.44) CCR5HSD11B1GPR119
SCHEMBL5490336 0.80 MAPT (0.52) TP53CCR5
SCHEMBL30773887 0.77 GPR119 (0.41) CCR5HSD11B1GPR119
SCHEMBL4339043 0.76 CCR5 (0.45) CCR5GPR119
SCHEMBL4340875 0.76 CHRM4 (0.44) CCR5HSD11B1GPR119
SCHEMBL27658938 0.76 TP53 (0.41) TP53CYP1A2CYP3A4CYP2D6ALOX12
SCHEMBL4336228 0.73 MAPT (0.49) TP53CCR5
SCHEMBL4339018 0.73 MAPT (0.57) TP53CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740576-B1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
EP-1740576-B1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
EP-1740576-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. Hoffman-la Roche AG (CH) 2007-01-10 EP disclosed
WO-2005103034-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. HOFFMAN-LA ROCHE AG (CH) 2005-11-03 WO disclosed
US-20050239843-A1 Diaminothiazoles DING QINGJIE 2005-10-27 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-20050239843-A1 Diaminothiazoles CDK4, CDK2, CDK1 TP53 71/4885CYP1A2 2501/4885CYP3A4 2229/4885

“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.