SCHEMBL238635

SCHEMBL238635

O=C1COC(=O)N1CCC1CCN(c2ccc3c(Cl)cccc3n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.48
HTR1D P28221 8/20 0.39
HTR1B P28222 8/20 0.39
SLC6A4 P31645 7/20 0.39
KCNH2 Q12809 6/20 0.39
DRD2 P14416 5/20 0.36
HTR2A P28223 5/20 0.36
HTR7 P34969 5/20 0.36
HTR6 P50406 5/20 0.36
HTR3A P46098 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MAPT P10636 1/20 0.35
ACHE P22303 1/20 0.34
PTPN11 Q06124 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL239514 0.85 HRH3 (0.45) HTR1ASLC6A4HTR7HTR6HTR3A
SCHEMBL236571 0.81 HRH3 (0.49) HTR1AKCNH2HTR3AHRH3
SCHEMBL239296 0.80 ACHE (0.39) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL238126 0.79 HTR3E (0.45) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL239521 0.78 P2RX7 (0.48) HTR1AHTR3AHRH3MAPTPTPN11
SCHEMBL240217 0.75 ACHE (0.37) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL1728843 0.74 P2RX7 (0.46) HTR1AP2RX7
SCHEMBL237973 0.73 HTR3A (0.46) HTR3AACHE
SCHEMBL237705 0.73 HTR1A (0.44) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL237974 0.71 CYP11B1 (0.45) HTR1ADRD2HTR2AHTR7HTR6

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 HTR1A 3455/4885HTR1D 2863/4885HTR1B 3101/4885
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 HTR1A 2958/4885HTR1D 2869/4885HTR1B 2783/4885
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 HTR1A 2196/4885HTR1D 1935/4885HTR1B 2125/4885

“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.