SCHEMBL4339043

SCHEMBL4339043

CCN(C(=O)OC(C)(C)C)C1CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.45
GPR119 Q8TDV5 14/20 0.44
GFER P55789 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
RAD52 P43351 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CASP6 P55212 1/20 0.41
LGMN Q99538 2/20 0.39

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
SCHEMBL4349234 0.93 CCR5 (0.44) CCR5GPR119GFERKDM4EGAA
SCHEMBL4340875 0.90 CHRM4 (0.44) CCR5GPR119GFERKDM4EGAA
SCHEMBL15244296 0.88 GPR119 (0.42) CCR5GPR119GFERKDM4EGAA
SCHEMBL16580729 0.86 GPR119 (0.50) GPR119GFERCASP6
SCHEMBL13785109 0.86 CCR5 (0.44) CCR5GPR119MAPT
SCHEMBL4339018 0.84 MAPT (0.57) CCR5MAPTSMN1; SMN2
SCHEMBL594199 0.84 GPR119 (0.46) GPR119GFERKDM4EGAAMAPT
SCHEMBL4339049 0.82 TP53 (0.41) CCR5GPR119
SCHEMBL2171923 0.80 PDE10A (0.46) GPR119GFERCASP6
SCHEMBL23107343 0.79 CCR5 (0.44) CCR5GPR119

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-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
US-20050096380-A1 7-[(7-ALKOXY)-CHROM-3-EN-6-YL]-HEPTATRIENOIC ACID AND 7-[(3-ALKOXY)-5,6-DIHYDRONAPHTHALEN-2-YL]-HEPTATRIENOIC ACID DERIVATIVES HAVING SERUM GLUCOSE REDUCING ACTIVITY ALLERGAN, INC. 2005-05-05 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 (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-20050239843-A1 Diaminothiazoles CDK4, CDK2, CDK1 CCR5 3960/4885GPR119 2191/4885GFER 4165/4885
US-20050096380-A1 7-[(7-ALKOXY)-CHROM-3-EN-6-YL]-HEPTATRIENOIC ACID AND 7-[(3-ALKOXY)-5,6-DIHYDRONAPHTHALEN-2-YL]-HEPTATRIENOIC ACID DERIVATIVES HAVING SERUM GLUCOSE REDUCING ACTIVITY TPO, THRA, FABP6 CCR5 2746/4885GPR119 13/4885GFER 3196/4885

“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.