SCHEMBL3269876

SCHEMBL3269876

CC(C)Cc1cccc(N2CCC(CCNC(=O)OCC(N)=O)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
AOC3 Q16853 3/20 0.38
HSD11B1 P28845 1/20 0.37
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
CHRM4 P08173 4/20 0.37
ACACB O00763 2/20 0.37
SUV39H2 Q9H5I1 2/20 0.36
SIRT2 Q8IXJ6 2/20 0.36
SIRT1 Q96EB6 2/20 0.36
SIRT3 Q9NTG7 2/20 0.36
TGM2 P21980 1/20 0.35
ACACA Q13085 1/20 0.35
TRPV3 Q8NET8 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
SCHEMBL240061 0.90 HRH3 (0.39) HRH3AOC3TPSAB1TPSD1TPSG1
SCHEMBL1727464 0.84 HRH3 (0.42) HRH3CHRM4ACACBTGM2TRPV3
SCHEMBL3265574 0.84 TPSAB1 (0.40) HSD11B1TPSAB1TPSD1TPSG1CHRM4
SCHEMBL5777613 0.81 HRH3 (0.44) HRH3AOC3HSD11B1ACACBTRPV3
SCHEMBL3265609 0.81 CKS1B (0.41) HSD11B1TPSAB1TPSD1TPSG1CHRM4
SCHEMBL240267 0.79 PDE10A (0.44) HRH3ACACBACACA
SCHEMBL3265618 0.79 CNR1 (0.41) CHRM4
SCHEMBL3270231 0.78 PTGES (0.44) TPSAB1TPSD1TPSG1CHRM4SUV39H2
SCHEMBL3265488 0.78 FAAH (0.40) HRH3AOC3TPSAB1TPSD1TPSG1
SCHEMBL3270022 0.77 SCD (0.43) TPSAB1TPSD1TPSG1CHRM4SIRT2

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 HRH3 33/4885AOC3 167/4885HSD11B1 4153/4885

“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.