SCHEMBL4789428

SCHEMBL4789428

NC(=O)C1CCC[N]C1=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 5/20 0.31
SIRT2 Q8IXJ6 2/20 0.31

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
SCHEMBL4470135 0.87
SCHEMBL3940078 0.71 NOS1 (0.47) SIRT1SIRT2
SCHEMBL4077712 0.70 SIRT1 (0.35) SIRT1SIRT2
SCHEMBL9597337 0.69
SCHEMBL22020336 0.67
SCHEMBL1793810 0.67
SCHEMBL1792301 0.65 MCL1 (0.53) SIRT1SIRT2
SCHEMBL3968327 0.65 MCL1 (0.53) SIRT1SIRT2
SCHEMBL9931272 0.65 MCL1 (0.53) SIRT1SIRT2
SCHEMBL4078350 0.64 EPHX1 (0.32) SIRT1SIRT2

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
US-20070117857-A1 Substituted 3-amido-tetrahydro-indazolyl cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. 2007-05-24 US claimed
EP-1931336-A1 TETRAHYDRO-INDAZOLYL CANNABINOID MODULATORS Janssen Pharmaceutica, N.V. (BE) 2008-06-18 EP disclosed
US-20070117857-A1 Substituted 3-amido-tetrahydro-indazolyl cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. 2007-05-24 US disclosed
US-20070117858-A1 SUBSTITUTED 5-HETEROARYL-1-PHENYL-PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-24 US disclosed
WO-2007038045-A1 TETRAHYDRO-INDAZOLYL CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-05 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 (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-20070117857-A1 Substituted 3-amido-tetrahydro-indazolyl cannabinoid modulators CNR2, CNR1, GPR18 SIRT1 772/4885SIRT2 1108/4885
US-20070117858-A1 SUBSTITUTED 5-HETEROARYL-1-PHENYL-PYRAZOLE CANNABINOID MODULATORS CNR1, CNR2, GPR18 SIRT1 861/4885SIRT2 1444/4885

“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.