SCHEMBL3270079

SCHEMBL3270079

NC(=O)COC(=O)NCCC1CCN(c2nccc3ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 5/20 0.49
SIRT1 Q96EB6 5/20 0.49
SIRT3 Q9NTG7 5/20 0.49
HTR2C P28335 1/20 0.45
MALT1 Q9UDY8 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
SORD Q00796 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
CHRM4 P08173 2/20 0.41
NAMPT P43490 1/20 0.38

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
SCHEMBL3268994 0.89 SIRT2 (0.46) SIRT2SIRT1SIRT3HTR2CMALT1
SCHEMBL2757435 0.87 DPP4 (0.44) HTR2CMALT1HRH4DRD2DRD4
SCHEMBL238082 0.87 SIRT2 (0.49) SIRT2SIRT1SIRT3TPSAB1TPSD1
SCHEMBL3265661 0.85 SIRT2 (0.49) SIRT2SIRT1SIRT3DRD2DRD4
SCHEMBL3266253 0.83 SIRT2 (0.48) SIRT2SIRT1SIRT3HTR2CDRD2
SCHEMBL3269252 0.83 DRD2 (0.50) SIRT2SIRT1SIRT3HTR2CDRD2
SCHEMBL1728813 0.83 SIRT2 (0.51) SIRT2SIRT1SIRT3HTR2CMALT1
SCHEMBL3266163 0.83 SIRT2 (0.44) SIRT2SIRT1SIRT3MALT1TPSAB1
SCHEMBL241153 0.83 DRD2 (0.45) SIRT2SIRT1SIRT3HTR2CMALT1
SCHEMBL3265672 0.83 CHRM4 (0.45) SIRT2SIRT1SIRT3DRD2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004207-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL-AND PIPERIDINYL-ALKYL CARBAMATES SANOFI-AVENTIS (FR) 2012-01-05 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 (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-20120004207-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL-AND PIPERIDINYL-ALKYL CARBAMATES CLCN2, CLIC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SIRT2 268/4885SIRT1 987/4885SIRT3 258/4885

“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.