SCHEMBL3269252

SCHEMBL3269252

NC(=O)COC(=O)NCCC1CCN(c2nccc3occc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 17/20 0.50
▸ HTR2A P28223 17/20 0.50
▸ DRD3 P35462 17/20 0.50
▸ HTR2C P28335 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ SIRT3 Q9NTG7 1/20 0.44

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
SCHEMBL3269249 0.90 HTR2C (0.47) DRD2HTR2ADRD3HTR2C
SCHEMBL1727503 0.84 DRD2 (0.56) DRD2HTR2ADRD3HTR2CSIRT2
SCHEMBL3270079 0.83 SIRT2 (0.49) DRD2HTR2CSIRT2SIRT1SIRT3
SCHEMBL3266163 0.80 SIRT2 (0.44) SIRT2SIRT1SIRT3
SCHEMBL238082 0.80 SIRT2 (0.49) SIRT2SIRT1SIRT3
SCHEMBL3265661 0.79 SIRT2 (0.49) DRD2SIRT2SIRT1SIRT3
SCHEMBL3265672 0.78 CHRM4 (0.45) DRD2SIRT2SIRT1SIRT3
SCHEMBL3269140 0.78 KDM4E (0.57) DRD2HTR2ASIRT2SIRT1SIRT3
SCHEMBL3266253 0.77 SIRT2 (0.48) DRD2HTR2ADRD3HTR2CSIRT2
SCHEMBL3269154 0.76 HTR1A (0.43) DRD2SIRT2SIRT1SIRT3

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 DRD2 1223/4885HTR2A 2607/4885DRD3 657/4885

“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.

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