SCHEMBL240217

SCHEMBL240217

CC(C)Cc1cccc(N2CCC(CCN3C(=O)COC3=O)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.37
HRH3 Q9Y5N1 2/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
NMT1 P30419 3/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
USP1 O94782 1/20 0.33
TRPV3 Q8NET8 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL238126 0.84 HTR3E (0.45) ACHENMT1HTR1AHTR1DHTR1B
SCHEMBL239296 0.83 ACHE (0.39) ACHENMT1HTR1AHTR1DHTR1B
SCHEMBL239514 0.77 HRH3 (0.45) HRH3HTR1ASLC6A4
SCHEMBL238635 0.75 HTR1A (0.48) ACHEHRH3HTR1AHTR1DHTR1B
SCHEMBL237973 0.74 HTR3A (0.46) ACHEUSP1
SCHEMBL1727464 0.73 HRH3 (0.42) HRH3TRPV3FFAR4
SCHEMBL5777613 0.72 HRH3 (0.44) HRH3TRPV3FFAR4
SCHEMBL239771 0.72 KCNH2 (0.38) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL236571 0.72 HRH3 (0.49) HRH3HTR1AKCNH2
SCHEMBL237974 0.69 CYP11B1 (0.45) HTR1ADRD2

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 6 patents. 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
EP-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP disclosed
US-8034818-B2 Therapeutic uses of derivatives of piperidinyl- and piperazinyl-alkyl carbamates SANOFI-AVENTIS (FR) 2011-10-11 US disclosed
US-20070142350-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES SANOFI-AVENTIS (FR) 2007-06-21 US disclosed
US-7214798-B2 Derivatives of piperidinyl-and piperazinyl-alkyl carbamates, preparation methods thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2007-05-08 US disclosed
US-20060089344-A1 Derivatives of piperidinyl-and piperazinyl-alkyl carbamates, preparation methods thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2006-04-27 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 (3 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-20060089344-A1 Derivatives of piperidinyl-and piperazinyl-alkyl carbamates, preparation methods thereof and application of same in therapeutics CLCN2, CNR2, RCC2 ACHE 1472/4885HRH3 33/4885HCRTR1 963/4885
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 ACHE 401/4885HRH3 33/4885HCRTR1 569/4885
US-20070142350-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3, H1-2 ACHE 503/4885HRH3 13/4885HCRTR1 342/4885

“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.