SCHEMBL237767

SCHEMBL237767

CS(=O)(=O)OCCC1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 3/20 0.48
NOTUM Q6P988 1/20 0.48
HSD17B10 Q99714 1/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR1D P28221 1/20 0.47
HTR2C P28335 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR1A P08908 2/20 0.46
DRD2 P14416 2/20 0.46

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
SCHEMBL4404564 0.85 ALDH1A1 (0.54) HRH3NPSR1ALDH1A1NOTUMHSD17B10
SCHEMBL4406453 0.80 ADORA2B (0.44) HSD17B10MAPTTP53SMN1; SMN2DRD2
SCHEMBL239283 0.77 HRH3 (0.58) HRH3NPSR1ALDH1A1NOTUMPOLB
SCHEMBL7298726 0.77 GRM2 (0.55)
SCHEMBL6893772 0.75 CYP2C19 (0.44) HRH3MAPTSMN1; SMN2DRD2TSHR
SCHEMBL548108 0.74 NOTUM (0.59) HRH3NPSR1ALDH1A1NOTUMPOLB
SCHEMBL15834350 0.73 HTT (0.61) ALDH1A1HSD17B10POLBMAPTTP53
SCHEMBL1727477 0.73 CHRM4 (0.66) HRH3NPSR1ALDH1A1NOTUMPOLB
SCHEMBL1060399 0.73 CA12 (0.50) HSD17B10MAPTTP53SMN1; SMN2DRD2
SCHEMBL6929180 0.73 AKR1C3 (0.37) ALDH1A1DRD2

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 HRH3 33/4885NPSR1 1139/4885ALDH1A1 742/4885
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 HRH3 33/4885NPSR1 1173/4885ALDH1A1 528/4885
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 HRH3 13/4885NPSR1 1164/4885ALDH1A1 916/4885

“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.