SCHEMBL3265541

SCHEMBL3265541

NC(=O)COC(=O)NCCC1CCN(c2cc(-n3ccnc3)ncn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 11/20 0.41
SIRT1 Q96EB6 11/20 0.41
SIRT3 Q9NTG7 11/20 0.41
CYP2C9 P11712 1/20 0.38
NOS2 P35228 1/20 0.37
CD38 P28907 1/20 0.37
CHRM4 P08173 2/20 0.36
EGLN2 Q96KS0 1/20 0.36
P4HTM Q9NXG6 1/20 0.35
CHEK1 O14757 1/20 0.35
CHEK2 O96017 1/20 0.35

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
SCHEMBL3266167 0.91 NOS2 (0.38) SIRT2SIRT1SIRT3NOS2CD38
SCHEMBL1728910 0.85 CHRM4 (0.44) SIRT2SIRT1SIRT3CYP2C9NOS2
SCHEMBL3270012 0.79 KDM4E (0.49)
SCHEMBL3265682 0.77 CHRM4 (0.58) SIRT2SIRT1SIRT3CHRM4
SCHEMBL1728003 0.76 CD38 (0.43) NOS2CD38EGLN2P4HTMCHEK1
SCHEMBL1729289 0.76 P4HTM (0.38) SIRT2SIRT1SIRT3CYP2C9NOS2
SCHEMBL3265698 0.76 CHRM4 (0.48) SIRT2SIRT1SIRT3CHRM4
SCHEMBL3265663 0.76 CHRM4 (0.44) SIRT2SIRT1SIRT3CHRM4
SCHEMBL3268956 0.75 TPSAB1 (0.41) SIRT2SIRT1SIRT3CYP2C9CHRM4
SCHEMBL1729376 0.74 P4HTM (0.39) CYP2C9NOS2EGLN2P4HTMCHEK1

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.