SCHEMBL237705

SCHEMBL237705

CS(=O)(=O)OCCC1CCN(c2ccc3c(Cl)cccc3n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.44
SMO Q99835 6/20 0.42
HTR3A P46098 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
P2RX7 Q99572 2/20 0.36
SETDB1 Q15047 1/20 0.36
PTPN11 Q06124 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NPY5R Q15761 1/20 0.36
DRD2 P14416 2/20 0.35
HTR2A P28223 2/20 0.35
HTR7 P34969 2/20 0.35
HTR6 P50406 1/20 0.35
ACACB O00763 2/20 0.35
ACACA Q13085 2/20 0.35
ADRB2 P07550 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR1E P28566 1/20 0.35
HTR1F P30939 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
SCHEMBL239117 0.80 HRH3 (0.52) HTR1ASMOHTR3AHRH3RXFP1
SCHEMBL239521 0.80 P2RX7 (0.48) HTR1AHTR3AHRH3P2RX7SETDB1
SCHEMBL238256 0.79 HTR3E (0.46) SMOHTR3AACACB
SCHEMBL239984 0.78 GRIN2D (0.38) HTR1ASMOHTR3AHRH3DRD2
SCHEMBL1728843 0.77 P2RX7 (0.46) HTR1AP2RX7
SCHEMBL1729610 0.74 HTR1A (0.40) HTR1AHTR3AHRH3P2RX7PTPN11
SCHEMBL1727890 0.74 HTR1A (0.40) HTR1ASMOP2RX7ACACBACACA
SCHEMBL38652658 0.73 SMO (0.37) SMOHTR3AMAPT
SCHEMBL2163071 0.73 SMO (0.37) SMOHTR3AMAPT
SCHEMBL238635 0.73 HTR1A (0.48) HTR1AHTR3AHRH3P2RX7PTPN11

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 5 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
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 3455/4885SMO 2315/4885HTR3A 2346/4885
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 2958/4885SMO 3485/4885HTR3A 2303/4885
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 2196/4885SMO 3763/4885HTR3A 1876/4885

“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.