SCHEMBL6152556

SCHEMBL6152556

Cc1cnc(NC2CC(C)(c3ccc(C#N)cc3)OC2=O)c(Br)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.33
IGF1R P08069 1/20 0.31
CNR2 P34972 1/20 0.31
PDE1A P54750 1/20 0.30

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
SCHEMBL6152950 0.81 GRM5 (0.35) TNKSIGF1RCNR2
SCHEMBL6152730 0.81 JAK2 (0.36) CNR2
SCHEMBL5776702 0.77 ALDH1A1 (0.36) TNKS
SCHEMBL6152681 0.76 PDK2 (0.31) IGF1R
SCHEMBL5774783 0.76 MAPT (0.34) IGF1R
SCHEMBL5775592 0.74 KDM4E (0.40) IGF1R
SCHEMBL5777842 0.72 TNKS (0.41) TNKS
SCHEMBL5775206 0.70 TDP1 (0.36)
SCHEMBL5777360 0.69 RAB9A (0.35)
SCHEMBL3949566 0.67 DHODH (0.50) IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943181-B2 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2005-09-13 US claimed
EP-1406610-B1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2005-01-26 EP claimed
US-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2004-09-09 US claimed
US-6943181-B2 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2005-09-13 US disclosed
EP-1551832-A1 8-AZABICYCLO[3.2.1]OCTANE ETHER DERIVATIVES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2005-07-13 EP disclosed
EP-1406610-B1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2005-01-26 EP disclosed
US-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2004-09-09 US disclosed
WO-2004031185-A1 8-AZABICYCLO[3.2.1]OCTANE ETHER DERIVATIVES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2004-04-15 WO disclosed
EP-1406610-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2004-04-14 EP disclosed
WO-2003004016-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2003-01-16 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-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations BACE1, MYC, APP TNKS 2137/4885IGF1R 443/4885CNR2 655/4885

“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.