SCHEMBL3266987

SCHEMBL3266987

CNC(=O)COC(=O)NCCC1CCN(c2nccc3ccc(OC)cc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.45
SIRT2 Q8IXJ6 2/20 0.45
SIRT1 Q96EB6 2/20 0.45
SIRT3 Q9NTG7 2/20 0.45
DRD2 P14416 2/20 0.44
DRD3 P35462 1/20 0.44
ACHE P22303 4/20 0.42
DRD4 P21917 1/20 0.41
CHRM4 P08173 2/20 0.40
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
HTR2C P28335 2/20 0.39
BCHE P06276 1/20 0.38
MALT1 Q9UDY8 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
SCHEMBL3269114 0.93 SIRT2 (0.45) ENPP1SIRT2SIRT1SIRT3DRD2
SCHEMBL3266982 0.89 SIRT2 (0.45) SIRT2SIRT1SIRT3CHRM4MALT1
SCHEMBL3268994 0.87 SIRT2 (0.46) SIRT2SIRT1SIRT3DRD2DRD4
SCHEMBL1729130 0.85 ENPP1 (0.51) ENPP1SIRT2SIRT1SIRT3DRD2
SCHEMBL3268996 0.84 GSK3B (0.42) ENPP1DRD2DRD3ACHEDRD4
SCHEMBL3266170 0.83 SIRT2 (0.45) ENPP1SIRT2SIRT1SIRT3CHRM4
SCHEMBL3265661 0.83 SIRT2 (0.49) ENPP1SIRT2SIRT1SIRT3DRD2
SCHEMBL3266166 0.83 SIRT2 (0.45) ENPP1SIRT2SIRT1SIRT3CHRM4
SCHEMBL3270570 0.83 CHRM4 (0.46) ENPP1ACHECHRM4BCHE
SCHEMBL3269870 0.82 HRH3 (0.48) ENPP1ACHECHRM4BCHE

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 ENPP1 1666/4885SIRT2 268/4885SIRT1 987/4885

“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.